Basic information
- CAS
232267-31-1- Standard SMILES
Cc1c(N)cc(C(F)(F)F)cc1Br- InChIKey
GAGJAAFFKXJAFU-UHFFFAOYSA-N- Molecular formula
- C8H7BrF3N
- Average molar mass
- 254.05 g/mol
- Monoisotopic mass
- 252.9714
Names & identifiers
- Preferred name
- 3-Bromo-2-methyl-5-(trifluoromethyl)aniline
- IUPAC
- 3-bromo-2-methyl-5-(trifluoromethyl)aniline
- English name
- 3-Bromo-2-methyl-5-trifluoromethylanilin
- Molecular formula
- C8H7BrF3N
- Molecular weight
- 254.05
Names & synonyms
3-bromo-2-methyl-5-(trifluoromethyl)aniline232267-31-13-Bromo-2-methyl-5-trifluoromethyl-phenylamineMFCD016316883-Amino-5-bromo-4-methylbenzotrifluoride3-bromo-2-methyl-5-(trifluoromethyl)phenylamineDTXSID90371296GAGJAAFFKXJAFU-UHFFFAOYSA-NSBB101348SB35752CS-0320641Benzenamine, 3-bromo-2-methyl-5-(trifluoromethyl)-
Show more names
3-Bromo-2-methyl-5-trifluoromethylanilin
Database identifiers
- CAS
232267-31-1- PubChem CID
- 2736348
- DTXSID
DTXSID90371296
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 248.1 · 248.1±40.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers6 total
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
上海群燊医药科技有限公司15316975816 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…