Basic information
- CAS
53439-87-5- Standard SMILES
O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2[nH]1- InChIKey
OFWLWHNQAUHHGZ-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O3S
- Average molar mass
- 232.64 g/mol
- Monoisotopic mass
- 231.9709409
Names & identifiers
- Preferred name
- 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride
- IUPAC
- 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
- English name
- 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride
- Molecular formula
- C7H5ClN2O3S
- Molecular weight
- 232.64
Names & synonyms
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chlorideRefChem:477695947-578-953439-87-52-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride2-oxo-2,3-Dihydro-1H-benzo[d]imidazole-5-sulfonyl chloride2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl chloride2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chlorideMFCD03965826C7H5ClN2O3S1H-Benzimidazole-5-sulfonyl chloride, 2,3-dihydro-2-oxo-5-(chlorosulfonyl)-3-hydrobenzimidazol-2-one
Show more names
D90106TIMTEC-BB SBB011651IFLAB-BB F2169-11162-oxo-1,3-ihydrobenzimidazole-5-sulfonyl chloride2-keto-1,3-dihydrobenzimidazole-5-sulfonyl chloride2,3-Dihydro-2-oxo-1H-benzimidazole-5-sulfonyl chloride2-oxo-2,3-dihydro-1H-benzoimidazol-5-sulfonyl chloride
SCHEMBL1825612SCHEMBL19465758DTXSID40390270ALBB-012422SBB011651STK524072XH0075AKOS000200782
Database identifiers
- CAS
53439-87-5- PubChem CID
- 3159944
- DTXSID
DTXSID40390270- EC Number
- 947-578-9、973-838-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to off-white Solid
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (100%)
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers19 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
1 records
Compound notes
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