4-Chloro-2-fluoro-5-(trifluoromethyl)aniline
Basic information
- CAS
1805524-41-7- Standard SMILES
Nc1cc(C(F)(F)F)c(Cl)cc1F- InChIKey
FTWJRPLRTPYTJN-UHFFFAOYSA-N- Molecular formula
- C7H4ClF4N
- Average molar mass
- 213.56 g/mol
- Monoisotopic mass
- 212.9968395
Names & identifiers
- Preferred name
- 4-Chloro-2-fluoro-5-(trifluoromethyl)aniline
- IUPAC
- 4-chloro-2-fluoro-5-(trifluoromethyl)aniline
- English name
- 4-chloro-2-fluoro-5-(trifluoromethyl)aniline
- Molecular formula
- C7H4ClF4N
- Molecular weight
- 213.56
Names & synonyms
4-Chloro-2-fluoro-5-(trifluoromethyl)aniline1805524-41-7RefChem:521054835-513-6HE-CHEMICAL 0360405MFCD28752563SCHEMBL28970675FXC52441AKOS0376221184-Chloro-2-fluoro-5-trifluoromethyl-anilineG502004-Chloro-2-fluoro-5-trifluoromethyl-phenylamine
Show more names
Benzenamine, 4-chloro-2-fluoro-5-(trifluoromethyl)-
EN300-1082147
Database identifiers
- CAS
1805524-41-7- PubChem CID
- 72404366
- EC Number
- 835-513-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 215.8 · 215.8±40.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H312-H302-H332-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H312-H302-H332-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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