Basic information
- CAS
877131-92-5- Standard SMILES
N#CCc1ccc(Br)cc1C(F)(F)F- InChIKey
DSDNDRQVAPPETF-UHFFFAOYSA-N- Molecular formula
- C9H5BrF3N
- Average molar mass
- 264.04 g/mol
- Monoisotopic mass
- 262.95574592
Names & identifiers
- Preferred name
- 2-[4-Bromo-2-(trifluoromethyl)phenyl]acetonitrile
- IUPAC
- 2-[4-bromo-2-(trifluoromethyl)phenyl]acetonitrile
- English name
- 4-bromo-2-trifluoromethylphenylacetonitrile
- Molecular formula
- C9H5BrF3N
- Molecular weight
- 264.04
Names & synonyms
2-(4-Bromo-2-(trifluoromethyl)phenyl)acetonitrile2-[4-bromo-2-(trifluoromethyl)phenyl]acetonitrileRefChem:456902858-294-9877131-92-54-Bromo-2-TrifluoromethylphenylacetonitrileMFCD13185431Benzeneacetonitrile, 4-bromo-2-(trifluoromethyl)-4-BROMO-2-(TRIFLUOROMETHYL)PHENYLACETONITRILE[4-bromo-2-(trifluoromethyl)phenyl]acetonitrileSCHEMBL195493SCHEMBL29507276
Show more names
DTXSID70729332CL8786XH0451AKOS015999927CS-W021400GS-3663SY113459DB-367486
Database identifiers
- CAS
877131-92-5- PubChem CID
- 58488407
- DTXSID
DTXSID70729332- EC Number
- 858-294-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers31 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
Related reactions
14 records
Compound notes
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