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Basic information
- CAS
942935-70-8- Standard SMILES
N#CCc1cc(Br)ccc1C(=O)O- InChIKey
CNICEBGPOTZLOV-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO2
- Average molar mass
- 240.056 g/mol
- Monoisotopic mass
- 238.95819053
Names & identifiers
- Preferred name
- 4-Bromo-2-(cyanomethyl)benzoic acid
- IUPAC
- 4-Bromo-2-(cyanomethyl)benzoic acid
- English name
- 4-BroMo-2-(cyanoMethyl)benzoic acid
- Molecular formula
- C9H6BrNO2
- Molecular weight
- 240.05
Names & synonyms
4-BroMo-2-(cyanoMethyl)benzoic acidBenzoic acid, 4-bromo-2-(cyanomethyl)-
Database identifiers
- CAS
942935-70-8- PubChem CID
- 57799485
- DTXSID
DTXSID20727949- EC Number
- 894-069-1
Properties
Physicochemical properties
- form
- solid
- InChI
- 1S/C9H6BrNO2/c10-7-1-2-8(9(12)13)6(5-7)3-4-11/h1-2,5H,3H2,(H,12,13)
- InChIKey
- CNICEBGPOTZLOV-UHFFFAOYSA-N
- SMILES
- OC(C1=CC=C(C=C1CC#N)Br)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海骁奈医药科技有限公司15800465632 · [email protected]
Related reactions
2 records
Compound notes
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