(S)-(+)-3-氯-1,2-丙二醇

3篇引用文献

COA

级别和纯度:

≥97%

CAS编号: 60827-45-4
分子式: C₃H₇ClO₂
分子量: 110.54
Beilstein号: 2202929
MDL号: MFCD00210270
PubChem编号: 148904
PubChem SID: 504757326

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货号 (SKU)	包装规格	是否现货
C106059-5g	5g	现货
C106059-25g	25g	现货
C106059-100g	100g	现货
C106059-500g	500g	现货

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不对称合成 (592) 手性非杂环砌块 (288)

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基本描述

别名	(S)-(+)-α-氯乙醇
英文别名	(S)-(+)-alpha-Chlorohydrin \| 1,2-Propanediol, 3-chloro-, (2S)- \| Betamethasone (Celestone) \| Glycerol (S)-(+)-alpha-Monochlorohydrin \| MFCD00210270 \| .ALPHA.-CHLOROHYDRIN, (+)- \| S-(+)-.ALPHA.-CHLOROHYDRIN \| 1,2-Propanediol, 3-chloro-, (S)- \| UNII-227BD3H
规格或纯度	≥97%
英文名称	(S)-(+)-3-Chloro-1,2-propanediol
应用	1.药物中间体； 2.合成手性精细化学品中间体。
运输条件	常规运输
产品介绍	1.药物中间体； 2.合成手性精细化学品中间体。
纯度	≥97%

名称和识别符

PubChem SID	504757326
IIUPAC Name	(2S)-3-chloropropane-1,2-diol
INCHI	1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
InChi Key	SSZWWUDQMAHNAQ-GSVOUGTGSA-N
Smiles	C(C(CCl)O)O
Isomeric SMILES	C([C@@H](CCl)O)O
UN Number	2689
分子量	110.54
Beilstein号	2202929
Reaxy-Rn	635684
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635684&ln=

化学和物理性质

溶解性	完全混溶于水；极易溶于酒精；不溶于乙醚
密度	1.322
折光率	1.479-1.481
比旋光度	8.5 ° (C=2, H2O)
闪点(℉)	235.4 °F
闪点(℃)	113 °C
沸点	213°C
分子量	110.540 g/mol
XLogP3	-0.500
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	110.013 Da
单同位素质量Monoisotopic Mass	110.013 Da
拓扑极表面积Topological Polar Surface Area	40.500 Å²
重原子数Heavy Atom Count	6
形式电荷Formal Charge	0
复杂度Complexity	32.000
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	1
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）

象形图	GHS05, GHS06, GHS07, GHS08
信号词	危险
危险声明	H301: 吞咽会中毒 H312: 皮肤接触有害 H315: 引起皮肤刺激 H318: 造成严重的眼睛损伤 H330: 吸入致命 H360: 可能损害生育力或未出生的孩子
预防措施声明	P260: 不要吸入灰尘/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。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P284: 如果通风不良，请佩戴呼吸防护装置。 P320: 迫切需要特殊治疗（请参阅此标签上的...）。 P321: 特殊处理（请参阅此标签上的...）。 P330: 漱口 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P203: 使用前，获取、阅读并遵守所有安全说明。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P316: 如果吞咽：立即寻求紧急医疗救助。 P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。 P318: 如果暴露或担心，请就医。 P317: 寻求紧急医疗救助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P316: 立即寻求紧急医疗救助。
WGK Germany	3
RTECS	TY4202300
个人防护装备	Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

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批号(Lot Number)	证书类型	货号
J2126129	分析证书	C106059
F2105013	分析证书	C106059
F2105014	分析证书	C106059
J2514352	分析证书	C106059
J2514336	分析证书	C106059
J2514351	分析证书	C106059
J2514353	分析证书	C106059
A1909053	分析证书	C106059
I2201265	分析证书	C106059
I2201266	分析证书	C106059
I2201268	分析证书	C106059
F23051000	分析证书	C106059
B2515021	分析证书	C106059
F23051034	分析证书	C106059
F23051037	分析证书	C106059

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引用文献

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4. Lu-xin Zhang,Jin-ping Yang,Dai-li Liu. (2009-04-11) [Gas chromatography for determination of 1, 3-dichloro-2-propanol in air of working places].. Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases, 26 ((8)): (492-493). [PMID:19358767]
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6. Ching-Yu Lin,Pei-hsuan Hung,Catherine A VandeVoort,Marion G Miller. (2009-06-06) 1H NMR to investigate metabolism and energy supply in rhesus macaque sperm.. Reproductive toxicology (Elmsford, N.Y.), 28 ((1)): (75-80). [PMID:19490998]
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18. Brian D Craft,Kornél Nagy,Laurence Sandoz,Frédéric Destaillats. (2011-12-16) Factors impacting the formation of monochloropropanediol (MCPD) fatty acid diesters during palm (Elaeis guineensis) oil production.. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 29 ((3)): (354-361). [PMID:22168150]
19. D Lupaşcu,Cristina Tuchiluş,Maria Sutu,Alexandra Neagu,Lenuţa Profire. (2012-01-27) [Synthesis and characterization of some new rutin and 7-aminocephalosporanic acid derivatives].. Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi, 115 ((4)): (1278-1282). [PMID:22276483]
20. Hao Zhang,Huan Yu,Xia Wang,Weiwei Zheng,Bei Yang,Jingbo Pi,Gengsheng He,Weidong Qu. (2012-08-24) (S)-α-chlorohydrin inhibits protein tyrosine phosphorylation through blocking cyclic AMP - protein kinase A pathway in spermatozoa.. PloS one, 7 ((8)): (e43004-e43004). [PMID:22916194]
21. B D Craft,A Chiodini,J Garst,M Granvogl. (2012-10-02) Fatty acid esters of monochloropropanediol (MCPD) and glycidol in refined edible oils.. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 30 ((1)): (46-51). [PMID:23020600]
22. Jianxia Sun,Shun Bai,Weibin Bai,Feiyan Zou,Lei Zhang,Guoqiang Li,Yunfeng Hu,Mingwei Li,Rian Yan,Zhijian Su,Yadong Huang. (2014-02-13) 1,3-Dichloro-2-propanol inhibits progesterone production through the expression of steroidogenic enzymes and cAMP concentration in Leydig cells.. Food chemistry, 154 (330-336). [PMID:24518350]
23. Z Zelinková,O Novotný,J Schůrek,J Velísek,J Hajslová,M Dolezal. (2008-05-20) Occurrence of 3-MCPD fatty acid esters in human breast milk.. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 25 ((6)): (669-676). [PMID:18484295]
24. Nithar Ranjan Madhu,Bhanumati Sarkar,Surjyo Jyoti Biswas,Biplab Kumar Behera,Ashis Patra. (2011-10-05) Evaluating the anti-fertility potential of α-chlorohydrin on testis and spermatozoa in the adult male wild Indian house rat (Rattus rattus).. Journal of environmental pathology, toxicology and oncology : official organ of the International Society for Environmental Toxicology and Cancer, 30 ((2)): (93-102). [PMID:21967454]
25. Colin L Willis. (2011-12-07) Imaging in vivo astrocyte/endothelial cell interactions at the blood-brain barrier.. Methods in molecular biology (Clifton, N.J.), 814 (515-529). [PMID:22144329]
26. K Yamazaki,M Ogiso,S Isagawa,T Urushiyama,T Ukena,N Kibune. (2012-08-23) A new, direct analytical method using LC-MS/MS for fatty acid esters of 3-chloro-1,2-propanediol (3-MCPD esters) in edible oils.. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 30 ((1)): (52-68). [PMID:22909228]
27. Jing Lu,Jianing Lu,Yan Chen,Zhe Feng,Shuang Liu,Shuang Guan. (2020-07-24) 3-Chloro-1, 2-propanediol inhibits autophagic flux by impairment of lysosomal function in HepG2 cells.. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 144 (111575-111575). [PMID:32702505]
28. Gao Hejun, Shi Lijuan, Zhang Shaohua, Li Jun, Wang Xiaodong, Zheng Liqiang. (2013) Aggregation behavior of imidazolium-based chiral surfactant in aqueous solution. COLLOID AND POLYMER SCIENCE, 291 (5): (1077-1084). [10.1007/s00396-012-2830-8]
29. Xiaoyan Tan, Yitao Huang, Umair Muhammad, Chao Song, Sai Zhang, Xueshan Xia, Yue Feng, Ling Guo, Guowei Wang, Zhendan He, Fengwei Xie. (2024) Dissolution and regeneration of starch in hydroxyl-functionalized ionic liquid aqueous solution. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 264 (130775). [PMID:38467210] [10.1016/j.ijbiomac.2024.130775]

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