氨茴内酐

COA

级别和纯度:

≥98%(GC)

CAS编号: 271-58-9
分子式: C₇H₅NO
分子量: 119.12
Beilstein号: 27(4)1068
MDL号: MFCD00005806
PubChem编号: 67498
PubChem SID: 504754163

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货号 (SKU)	包装规格	是否现货
A151655-250mg	250mg	现货
A151655-1g	1g	现货
A151655-5g	5g	现货

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五元杂环化合物 (2065) 恶唑类 (151)

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基本描述

别名	2,1-苯丙异恶唑
英文别名	SCHEMBL175342 \| AKOS005255306 \| InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5 \| NCIOpen2_002087 \| T70698 \| EINECS 205-980-5 \| DTXSID00181565 \| SY051668 \| 2,1-benzoxazole \| NSC99331 \| NSC-99331 \| UNII-58GQ20G9W6 \| Benz(c)isoxazole \| Anthranil, 99% \| 2,1-Benzi
规格或纯度	≥98%(GC)
英文名称	Anthranil
储存温度	充氩
运输条件	常规运输
产品介绍	蒽醌在单脉冲激波管实验中发生热分解形成苯胺和环戊二烯腈。研究了活性银胶体中蒽醌的表面增强拉曼光谱。
纯度	≥98%(GC)

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

PubChem SID	504754163
分子类型	小分子
IIUPAC Name	2,1-benzoxazole
INCHI	1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChi Key	FZKCAHQKNJXICB-UHFFFAOYSA-N
Smiles	C1=CC2=CON=C2C=C1
Isomeric SMILES	C1=CC2=CON=C2C=C1
分子量	119.12
Beilstein号	27(4)1068
Reaxy-Rn	2222
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2222&ln=

化学和物理性质

密度	1.19
敏感性	对空气敏感
折光率	1.58
闪点(℉)	201.2 °F
闪点(℃)	94°C(lit.)
沸点	101°C/15mmHg(lit.)
分子量	119.120 g/mol
XLogP3	1.500
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	0
精确质量Exact Mass	119.037 Da
单同位素质量Monoisotopic Mass	119.037 Da
拓扑极表面积Topological Polar Surface Area	26.000 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	105.000
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）

象形图	GHS07
信号词	警告
危险声明	H302: 吞食有害
预防措施声明	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。 P330: 漱口 P301+P312: 如误吞咽：如感觉不适，呼叫急救中心/医生。 P501: 将内容物/容器处理到。。。
WGK Germany	3

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找到8个结果

批号(Lot Number)	证书类型	货号
H2204345	分析证书	A151655
H2204346	分析证书	A151655
K2422213	分析证书	A151655
F2103044	分析证书	A151655
D2328126	分析证书	A151655
D2328131	分析证书	A151655
D2328135	分析证书	A151655
E2320336	分析证书	A151655

引用文献

1. V Armuth,I Berenblum. (1982-01-01) Further exploration of stages in carcinogenesis.. Carcinogenesis; a comprehensive survey, 7 (41-42). [PMID:7066925]
2. E V Kudryashova,A K Gladilin,V A Izumrudov,A van Hoek,A J Visser,A V Levashov. (2002-01-05) Formation of quasi-regular compact structure of poly(methacrylic acid) upon an interaction with alpha-chymotrypsin.. Biochimica et biophysica acta, 1550 ((2)): (129-143). [PMID:11755202]
3. Assa Lifshitz,Carmen Tamburu,Aya Suslensky,Faina Dubnikova. (2006-07-11) Decomposition of anthranil. Single pulse shock-tube experiments, potential energy surfaces and multiwell transition-state calculations. The role of intersystem crossing.. The journal of physical chemistry. A, 110 ((27)): (8248-8258). [PMID:16821808]
4. Anita Toulmin,J Matthew Wood,Peter W Kenny. (2008-06-19) Toward prediction of alkane/water partition coefficients.. Journal of medicinal chemistry, 51 ((13)): (3720-3730). [PMID:18558667]
5. Marna Pippel,Kristen Boyce,Hariharan Venkatesan,Victor K Phuong,Wen Yan,Terrance D Barrett,Guy Lagaud,Lina Li,Magda F Morton,Clodagh Prendergast,Xiaodong Wu,Nigel P Shankley,Michael H Rabinowitz. (2009-10-10) Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy.. Bioorganic & medicinal chemistry letters, 19 ((22)): (6376-6378). [PMID:19815410]
6. Yu Zhao,Li-ping Xu,Jun Tong,Yong-qiang Li,Li-xia Xiong,Fang Li,Li-na Peng,Zheng-ming Li. (2012-11-01) Synthesis, crystal structure and biological activity of novel anthranilic diamide insecticide containing alkyl ether group.. Molecular diversity, 16 ((4)): (711-725). [PMID:23111947]
7. V Armuth,I Berenblum. (1982-03-01) A possible in vivo skin model for tumour promoter assays.. Cancer letters, 15 ((3)): (343-346). [PMID:7116336]
8. Marna Pippel,Brett D Allison,Victor K Phuong,Lina Li,Magda F Morton,Clodagh Prendergast,Xiaodong Wu,Nigel P Shankley,Michael H Rabinowitz. (2009-10-09) Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists I: discovery of CCKR1 selectivity in a previously CCKR2-selective lead series.. Bioorganic & medicinal chemistry letters, 19 ((22)): (6373-6375). [PMID:19811913]
9. Siddharth Tiwari,Lukasz L Stelinski. (2013-02-02) Effects of cyantraniliprole, a novel anthranilic diamide insecticide, against Asian citrus psyllid under laboratory and field conditions.. Pest management science, 69 ((9)): (1066-1072). [PMID:23371893]