Basic information
- CAS
92748-09-9- Standard SMILES
NS(=O)(=O)c1ccccc1Br- InChIKey
YSFGGXNLZUSHHS-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO2S
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 234.93026153
Names & identifiers
- Preferred name
- 2-Bromobenzenesulfonamide
- IUPAC
- 2-bromobenzenesulfonamide
- English name
- 2-Bromobenzenesulfonamide
- Molecular formula
- C6H6BrNO2S
- Molecular weight
- 236.09
Names & synonyms
2-Bromobenzenesulfonamide92748-09-9DTXSID30384224RefChem:257630DTXCID003352482-Bromobenzene-1-sulfonamide2-bromobenzenesulphonamideMFCD001736622-bromophenylsulfonamide2-Bromobenzenesulfonamide, 97%CHEMBL1946184BDBM50363492
Show more names
BUTTPARK 89\07-692-Bromobenzenesulfon2-BROMOBENZENZENESULFONAMIDEBenzenesulfonamide, 2-bromo-2-Bromobenzenesulfonamide 97%2-Bromobenzenesulfonamide,99%2-Bromo benzene sulfonyl amide
AKOS000146069PS-4702F20910Z454156422-Bromobenzene-1bromobenzenesulfonamidebromobenzene sulfonamide2-Bromobenzensulfonamide
Database identifiers
- CAS
92748-09-9- PubChem CID
- 2801263
- DTXSID
DTXSID30384224- ChEMBL
CHEMBL1946184- EC Number
- 677-821-1
- Nikkaji
- J1.779.041B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 191 · 191-195 °C (lit.)
- Boiling point
- 374.5 · 374.5±44.0 °C(Predicted)
- Density
- 1.754 · 1.754±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 9.66 · 9.66±0.60(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 3253041 · 3253041
- InChI
- 1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
- InChIKey
- YSFGGXNLZUSHHS-UHFFFAOYSA-N
- SMILES
- NS(=O)(=O)c1ccccc1Br
- CAS DataBase Reference
- 92748 · 92748-09-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310a-P321-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-36/37-37/39-26
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HS Code
- 2935909099 · 2935909099
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2935909099
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 22-36/37-37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Suppliers96 total
河北汤武科技有限公司15632360893 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
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武汉凯威斯科技有限公司027-67849912 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
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深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
47 records
Compound notes
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