基本描述

别名	苯基芥子油
英文别名	Isothiocyanic Acid Phenyl Ester
规格或纯度	≥98%
英文名称	Phenyl isothiocyanate（PITC）
储存温度	2-8°C储存,充氩
运输条件	冰袋运输
产品介绍	Phenyl isothiocyanate is an inhibitor of nicotine-derived nitrosamine ketone (NNK)-induced lung tumorigenesis.Which inhibits NNK-induced tumorigenesis. Phenyl isothiocyanate is an aromatic isothiocyanate. It participates in dehydration reactions of alcohols. It is widely used for synthesis of various biologically important heterocyclic compounds. Which inhibits NNK-induced tumorigenesis.
纯度	≥98%

关联靶点（人）

AKR1B1 Tclin Aldose reductase (1404 活性数据)

点击查看靶蛋白信息： AKR1B1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MIF Tchem Macrophage migration inhibitory factor (979 活性数据)

点击查看靶蛋白信息： MIF

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CTSB Tchem Cathepsin B (3822 活性数据)

点击查看靶蛋白信息： CTSB

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 活性数据)

点击查看靶蛋白信息： TP53

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Sclerotinia sclerotiorum (877 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Meloidogyne javanica (98 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	203-138-1
分子类型	小分子
IIUPAC Name	isothiocyanatobenzene
INCHI	1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChi Key	QKFJKGMPGYROCL-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)N=C=S
Isomeric SMILES	C1=CC=C(C=C1)N=C=S
UN Number	2927
Packing Group	II
分子量	135.19
Beilstein号	471392
Reaxy-Rn	471392
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471392&ln=

化学和物理性质

溶解性	Soluble in alcohol, and ether. Insoluble in water.
密度	1.135
敏感性	对湿度和热敏感
折光率	1.64918
闪点(℉)	190.4 °F
闪点(℃)	87℃
沸点	221°C
熔点	-21°C
分子量	135.190 g/mol
XLogP3	3.300
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	135.014 Da
单同位素质量Monoisotopic Mass	135.014 Da
拓扑极表面积Topological Polar Surface Area	44.500 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	121.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS05, GHS06, GHS08, GHS09
信号词	危险
危险声明	H227: 可燃液体 H301: 吞咽会中毒 H314: 造成严重的皮肤灼伤和眼睛损伤 H317: 可能引起皮肤过敏反应 H334: 吸入可能引起过敏或哮喘病症状或呼吸困难 H410: 对水生生物有剧毒并具有长期持续影响
预防措施声明	P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P272: 被污染的工作服不允许离开工作场所 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P310: 立即致电解毒中心或医生。 P391: 收集溢出物 P301+P310: 如误吞咽：立即呼叫急救中心/医生。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。 P342+P311: 如有呼吸系统病症：呼叫急救中心/医生。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P405: 密闭存放 P403+P235: 存放在通风良好的地方。保持低温。 P501: 将内容物/容器处理到。。。
WGK Germany	3
RTECS	NX9275000
Merck Index	7297
个人防护装备	Faceshields,full-face respirator (US),Gloves,Goggles,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

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找到30个结果

批号(Lot Number)	证书类型	货号
J2516763	分析证书	P110634
J2516776	分析证书	P110634
J2516777	分析证书	P110634
E2125204	分析证书	P110634
D2515434	分析证书	P110634
D2515465	分析证书	P110634
D2515464	分析证书	P110634
L2403275	分析证书	P110634
L2403334	分析证书	P110634
J2409617	分析证书	P110634
J2409618	分析证书	P110634
J2409627	分析证书	P110634
I2523544	分析证书	P110634
E2408352	分析证书	P110634
E2408358	分析证书	P110634
E2408359	分析证书	P110634
E2408363	分析证书	P110634
K2303406	分析证书	P110634
K2303407	分析证书	P110634
K2303408	分析证书	P110634
G2310762	分析证书	P110634
G2310763	分析证书	P110634
G2310764	分析证书	P110634
C2302970	分析证书	P110634
C2302971	分析证书	P110634
C23021074	分析证书	P110634
B2218540	分析证书	P110634
B2218543	分析证书	P110634
B2218545	分析证书	P110634
K2217202	分析证书	P110634

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此产品的引用文献

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引用文献

1. Jingchen Gao, Xiyuran Wang, Xiangyi Kong, Xujin Yao, Jinyang Ren, Shujun Chen, Na Shen, Zhuo Li, Yitian Wang, Ye Wei, Oleg Glebov, Fengyuan Che, Qi Wan. (2023) Proline-Loaded Chitosan Nanoparticles Penetrate the Blood–Brain Barrier to Confer Neuroprotection in Mice Cerebral Ischemia Injury. ACS Applied Polymer Materials, 5 (12): (10234–10244). [10.1021/acsapm.3c02034]
2. Zhang Hao-Tian, Niu Ming-Xin, Zhang Qi, Hu Chen-Yang, Pang Xuan. (2023) Facile Synthesis of Polyisothioureas via Alternating Copolymerization of Aziridines and Isothiocayanates. CHINESE JOURNAL OF POLYMER SCIENCE, (1-7). [10.1007/s10118-023-3048-6]
3. Shengmei Gao, Luyu Shan, Yaling Shi, Yuting Zhao, Qixuan Mu, Ying Cui, Xin Chai, Yuefei Wang. (2023) Exploration of the variations of amino acids in Massa Medicata Fermentata and their effects on gastrointestinal diseases. LWT-FOOD SCIENCE AND TECHNOLOGY, 173 (114309). [10.1016/j.lwt.2022.114309]
4. Peng-Zhou HANG, Pei-Feng LI, Jie LIU, Feng-Feng LI, Ting-Ting CHEN, Yang PAN, Man-Ru ZHANG, Hua-Qing YU, Hong-Yu JI, Zhi-Min DU, Jing ZHAO. (2022) Small-molecule 7,8-dihydroxyflavone counteracts compensated and decompensated cardiac hypertrophy via AMPK activation. Journal of Geriatric Cardiology, 19 (11): ( 853–866). [PMID:36561053] [10.11909/j.issn.1671-5411.2022.11.002]
5. Hui-Zhong Sun, Xin-Yue Chen, Yu-Miao Zhang, Bin Qiao, Qiu-Man Xu, Jing-Sheng Cheng, Ying-Jin Yuan. (2022) Construction of multi-strain microbial consortia producing amylase, serine and proline for enhanced bioconversion of food waste into lipopeptides. BIOCHEMICAL ENGINEERING JOURNAL, 188 (108682). [10.1016/j.bej.2022.108682]
6. Xin-Yue Chen, Hui-Zhong Sun, Bin Qiao, Chang-Hao Miao, Zheng-Jie Hou, Shu-Jing Xu, Qiu-Man Xu, Jing-Sheng Cheng. (2022) Improved the lipopeptide production of Bacillus amyloliquefaciens HM618 under co-culture with the recombinant Corynebacterium glutamicum producing high-level proline. BIORESOURCE TECHNOLOGY, 349 (126863). [PMID:35183721] [10.1016/j.biortech.2022.126863]
7. Zili Song, Ruilin Zhao, Hongjiao Zhang, Penglin Wei, Landa Qi, Guocan Chen, Wen-Bing Yin, Wei Li. (2021) Rapid and Accurate Screening of Lysine-Producing Edible Mushrooms via the Homocitrate Synthase Gene as a Universal Molecular Marker. ACS Omega, 6 (41): (26910–26918). [PMID:34693112] [10.1021/acsomega.1c03175]
8. Derui Zhang, Xiaonan Wei, Ze Liu, Xiangyun Wu, Changjian Bao, Yuzhe Sun, Nana Su, Jin Cui. (2021) Transcriptome Analysis Reveals the Molecular Mechanism of GABA Accumulation during Quinoa (Chenopodium quinoa Willd.) Germination. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 69 (41): (12171–12186). [PMID:34610747] [10.1021/acs.jafc.1c02933]
9. Saili Zhang, Xiangjun Fang, Weijie Wu, Chuan Tong, Hangjun Chen, Hailong Yang, Haiyan Gao. (2022) Effects of negative air ions treatment on the quality of fresh shiitake mushroom (Lentinus edodes) during storage. FOOD CHEMISTRY, 371 (131200). [PMID:34624741] [10.1016/j.foodchem.2021.131200]
10. Jie Yan, Wenxiu Guo, Lanyu Zhou, Dale Guo, Jin Pei, Yun Deng, Haoyuan Zheng, Ding Liu, Xiaofang Xie, Cheng Peng. (2021) Three Previously Undescribed Chlorophenyl Glycosides from the Bulbs of Lilium regale. CHEMISTRY & BIODIVERSITY, 18 (10): (e2100403). [PMID:34370372] [10.1002/cbdv.202100403]
11. Xiaofeng He, Liling Xie, Xiaoshan Zhang, Fan Lin, Xiaobo Wen, Bo Teng. (2021) The Structural Characteristics of Collagen in Swim Bladders with 25-Year Sequence Aging: The Impact of Age. Applied Sciences-Basel, 11 (10): (4578). [10.3390/app11104578]
12. Yiming Zhang, Jinsheng Yu, Shuyu Lai, Jian Song, Xiaomei Wu, Dingnan Wang, Linjiang Pang, Tingting Chai. (2021) Rapid determination of histamine level in seafood using read-out strips based on high-performance thin layer chromatography modified with self-visualization nanomaterials. FOOD CONTROL, 122 (107816). [10.1016/j.foodcont.2020.107816]
13. Jin-feng Chen, Lu Tan, Feng Ju, Qi-xuan Kuang, Tian-long Yang, Fang Deng, Yu-cheng Gu, Li-shi Jiang, Yun Deng, Da-le Guo. (2022) Phenolic glycosides from Sanguisorba officinalis and their anti-inflammatory effects. NATURAL PRODUCT RESEARCH, 36 (8): (2097-2104). [PMID:33205667] [10.1080/14786419.2020.1849202]
14. Zhang Pengyu, Liu Wei, Li Wei, Wang Qingshuang, Zhang Guilin, Zhao Lihui, Li Jingmei, Ji Wei, Wang Chen, Wang Jiaqi. (2020) A Rapid and Sensitive Method for Free Amino Acids in Nasal Feeding Nutrition by Liquid Chromatography with Liquid Extraction-Derivatization. CHROMATOGRAPHIA, 83 (2): (293-297). [10.1007/s10337-019-03830-w]
15. Da-Le Guo, Jin-Feng Chen, Lu Tan, Meng-Ying Jin, Feng Ju, Zhi-Xing Cao, Fang Deng, Li-Na Wang, Yu-Cheng Gu, Yun Deng. (2019) Terpene Glycosides from Sanguisorba officinalis and Their Anti-Inflammatory Effects. MOLECULES, 24 (16): (2906). [PMID:31405117] [10.3390/molecules24162906]
16. Guocheng Huang, Weixi Cai, Baojun Xu. (2017) Improvement in beta-carotene, vitamin B2, GABA, free amino acids and isoflavones in yellow and black soybeans upon germination. LWT-FOOD SCIENCE AND TECHNOLOGY, 75 (488). [10.1016/j.lwt.2016.09.029]
17. Miaomiao Hong, Xiangyu Lu, Yuhua Chen, Dongmei Xu. (2016) A novel rhodamine-based colorimetric and fluorescent sensor for Hg2+ in water matrix and living cell. SENSORS AND ACTUATORS B-CHEMICAL, 232 (28). [10.1016/j.snb.2016.03.125]
18. Miaomiao Hong, Shengzhou Lu, Feng Lv, Dongmei Xu. (2016) A novel facilely prepared rhodamine-based Hg2+ fluorescent probe with three thiourea receptors. DYES AND PIGMENTS, 127 (94). [10.1016/j.dyepig.2015.12.023]
19. Guihua Zheng, Wenwen Jin, Pei Fan, Xiaonan Feng, Yun Bai, Tao Tao, Longjiang Yu. (2015) A novel method for detecting amino acids derivatized with phenyl isothiocyanate by high-performance liquid chromatography–electrospray ionization mass spectrometry. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 392 (1). [10.1016/j.ijms.2015.08.004]
20. Yi-Jun Gong, Xiao-Bing Zhang, Zhuo Chen, Yuan Yuan, Zhen Jin, Lei Mei, Jing Zhang, Weihong Tan, Guo-Li Shen, Ru-Qin Yu. (2012) An efficient rhodamine thiospirolactam-based fluorescent probe for detection of Hg2+ in aqueous samples. ANALYST, 137 (4): (932-938). [PMID:22179782] [10.1039/C2AN15935J]
21. Lu Xu,Bin Du,Baojun Xu. (2014-12-23) A systematic, comparative study on the beneficial health components and antioxidant activities of commercially fermented soy products marketed in China.. Food chemistry, 174 (202-213). [PMID:25529671]
22. Xin Jin, Sumeng Wang, Yaping Gao, Qingsheng Qi, Quanfeng Liang. (2025) Combinatorial metabolic engineering of Escherichia coli to efficiently produce L-threonine from untreated cane molasses. BIORESOURCE TECHNOLOGY, 419 (132058). [PMID:39798814] [10.1016/j.biortech.2025.132058]
23. Boyu Yang, Chao Li, Yongshuo Ren, Weichen Wang, Xiangxiang Zhang, Xiaojun Han. (2024) Construction of the Glycolysis Metabolic Pathway Inside an Artificial Cell for the Synthesis of Amino Acid and Its Reversible Deformation. Journal of the American Chemical Society, 146 (31): (21847-21858). [PMID:39042264] [10.1021/jacs.4c06227]
24. Shutian Ma, Enjie Diao, Hongyu Zou, Zhuang Shi, Yi Yang, Liming Zhang, Jinglin Zhang. (2025) Electron beam irradiation shortened the processing cycle of Chinese solo-bulb black garlic: Changes in critical physicochemical properties. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 137 (106842). [10.1016/j.jfca.2024.106842]
25. Xiaoyu Zhang, Ruihu Zhang, Rui Li, Jiaxing Zhang, Yuefei Wang, Xin Chai, Yuefei Wang. (2024) Elucidating the formation mechanism of gardenia blue pigment from amino acid and genipin. Arabian Journal of Chemistry, (106048). [10.1016/j.arabjc.2024.106048]
26. Hui-Zhong Sun, Si-Yu Wei, Qiu-Man Xu, Wei Shang, Qing Li, Jing-Sheng Cheng, Ying-Jin Yuan. (2024) Enhancement of polymyxin B1 production by an artificial microbial consortium of Paenibacillus polymyxa and recombinant Corynebacterium glutamicum producing precursor amino acids. Synthetic and Systems Biotechnology, 9 (176). [PMID:38348399] [10.1016/j.synbio.2024.01.015]
27. Jingjing Yang, Cheng Xue, Lihua Zhang, Ning Meng, Jing Yang, Ying Cui, Yuefei Wang, Xin Chai. (2024) Exploration on the mechanism of “black as lacquer and sweetness as candy” based on the reactions of “crosslinking coloring and Maillard” and “oligosaccharide hydrolysis” during the processing of Radix Rehmanniae. Arabian Journal of Chemistry, 17 (105917). [10.1016/j.arabjc.2024.105917]
28. Luyu Shan, Jingjing Yang, Yaling Shi, Yalin Ye, Min Zhang, Ying Cui, Huijuan Yu, Yuefei Wang, Xin Chai. (2024) Metabolism and release of characteristic components and profiles of enzymatic activities during fermentation of Massa Medicata Fermentata. LWT-FOOD SCIENCE AND TECHNOLOGY, 209 (116793). [10.1016/j.lwt.2024.116793]
29. Dehao Meng, Dongbo Zhao, Zhichao Zhao, Xiaoxue Wang, Yi Wu, Yonghui Li, Zhaolin Lv, Qilin Zhong. (2025) Revealing key aroma compounds and the potential metabolic pathways in sea buckthorn berries. FOOD CHEMISTRY, 476 (143430). [PMID:39986073] [10.1016/j.foodchem.2025.143430]
30. Xiangrong Fan, Xiaoqing Liu, Yaxin Yan, Dong Hua, Ke Luo, Sijia Hao, Danshi Zhu, Dayu Zhou, He Liu. (2024) Widely targeted metabolomics analysis reveals the effect of soybean hull polysaccharides on nonvolatile components of plant-based yogurt and its metabolic pattern. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 279 (135144). [PMID:39208892] [10.1016/j.ijbiomac.2024.135144]

溶液计算器

摩尔浓度计算器

计算溶液所需的质量、体积或浓度。

质量

=

浓度

x

体积

x

分子量

g/mol

稀释计算器

计算配制储备溶液所需的稀释度。

浓度1（C1）

x

体积 1 (V1)

=

浓度 2 (C2)

x

体积 2 (V2)

复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

体积（添加到小瓶中）

=

质量（小瓶）

÷

所需的复溶浓度

货号 (SKU)	包装规格	是否现货
P110634-25ml	25ml	现货
P110634-100ml	100ml	现货
P110634-500ml	500ml	现货

异硫氰酸苯酯（PITC）

库存信息

库存信息

库存信息

基本描述

关联靶点（人）

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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引用文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器