5-Chloro-2-(trifluoromethyl)aniline
Basic information
- CAS
445-14-7- Standard SMILES
Nc1cc(Cl)ccc1C(F)(F)F- InChIKey
GXMFVMMXHKXSBI-UHFFFAOYSA-N- Molecular formula
- C7H5ClF3N
- Average molar mass
- 195.57 g/mol
- Monoisotopic mass
- 195.0062613
Names & identifiers
- Preferred name
- 5-Chloro-2-(trifluoromethyl)aniline
- IUPAC
- 5-chloro-2-(trifluoromethyl)aniline
- English name
- 2-Amino-4-chlorobenzotrifluoride
- Molecular formula
- C7H5ClF3N
- Molecular weight
- 195.57
Names & synonyms
445-14-75-Chloro-2-(trifluoromethyl)anilineEINECS 207-153-4DTXSID00196199RefChem:534502DTXCID60118690207-153-42-AMINO-4-CHLOROBENZOTRIFLUORIDE5-Chloro-2-trifluoromethylanilineMFCD08282771Benzenamine, 5-chloro-2-(trifluoromethyl)-SCHEMBL721823
Show more names
3-Chloro-6-(trifluoromethyl)aniline5-Chloro-α,α,α-trifluoro-o-toluidine2-Amino-4-chlorotrifluoromethylbenzene2-Amino-4-chloro-α,α,α-trifluorotoluene[5-chloro-2-(trifluoromethyl)phenyl]amine2-Amino-4-chlorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha-trifluorotoluidine
CL84515-Chloro-a,a,a-trifluoro-o-toluidineAKOS006289606CS-W021557AC-37352-(Trifluoromethyl)-5-chloroanilineAM61982FT-0647718
Database identifiers
- CAS
445-14-7- PubChem CID
- 67963
- DTXSID
DTXSID00196199- EC Number
- 207-153-4
- Nikkaji
- J153.397E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 82 · 82-84 °C
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.41 · 0.41±0.10(Predicted)
- form
- Oil
- color
- Clear Light Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xn
- HS Code
- 2921420090 · 2921420090
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
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-Amino-4-chlorobenzotrifluoride is a potent activator of the histone acetyltransferase (HAT) of p300.
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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