Basic information
- CAS
1483-54-1- Standard SMILES
N#Cc1ccc(C(F)(F)F)cc1N- InChIKey
IAIRNHIXDCZUCV-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2
- Average molar mass
- 186.13 g/mol
- Monoisotopic mass
- 186.04048282
Names & identifiers
- Preferred name
- 2-Amino-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2-amino-4-(trifluoromethyl)benzonitrile
- English name
- 2-Amino-4-trifluoromethylbenzonitrile
- Molecular formula
- C8H5F3N2
- Molecular weight
- 186.13
Names & synonyms
2-Amino-4-(trifluoromethyl)benzonitrile1483-54-1RefChem:85179216-047-7EINECS 216-047-72-amino-4-trifluoromethylbenzonitrile3-Amino-4-cyanobenzotrifluorideMFCD04974124Benzonitrile, 2-amino-4-(trifluoromethyl)-2-Cyano-5-(trifluoromethyl)aniline2-cyano-5-trifluoromethylanilineCL8144
Show more names
Enzalutamide Impurity 712-Amino-4-(trifluoromethyl)benzotrile2-Amino-4-(trifluoromethyl)benzonitrile >2-azanyl-3-(trifluoromethyl)benzenecarbonitrile2-Cyano-5-(trifluoromethyl)aniline, 2-Amino-4-(trifluoromet
AKOS005256026CS-W016920AC-2320DS-09832-Amino-4-trifluoromethyl-benzonitrileSCHEMBL4636004-trifluoromethyl anthranilonitrile4-(Trifluoromethyl)anthranilonitrile
Database identifiers
- CAS
1483-54-1- PubChem CID
- 13439028
- DTXSID
DTXSID10933370- EC Number
- 216-047-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 88 to · 88.0 to 92.0 °C
- Boiling point
- 127 °C/7mmHg · 127°C/7mmHg(lit.)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystalline
- pka
- 0.59 · 0.59±0.10(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 1483 · 1483-54-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3439 · UN 3439 6.1/PG III
- HazardClass
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
Danger
H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- ridadr
- UN 3439 6.1/PG III
- hs_code
- 29269090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-4-trifluoromethylbenzonitrile is an organic compound, which is often used as a synthetic intermediate for certain drugs, including peptide drugs, hormone drugs, anti-tumor drugs, etc.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers102 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
16 records
Compound notes
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