CAS 25449-96-1 2-Methyl-5-(trifluoromethyl)aniline (HCID 2735933)

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Basic information

CAS: 25449-96-1
Standard SMILES: Cc1ccc(C(F)(F)F)cc1N
InChIKey: BCLCKENDTZITFB-UHFFFAOYSA-N
Molecular formula: C8H8F3N
Average molar mass: 175.15 g/mol
Monoisotopic mass: 175.06088392

Names & identifiers

Preferred name: 2-Methyl-5-(trifluoromethyl)aniline
IUPAC: 2-methyl-5-(trifluoromethyl)aniline
English name: 3-AMINO-4-METHYLBENZOTRIFLUORIDE
Molecular formula: C8H8F3N
Molecular weight: 175.15

Names & synonyms

2-Methyl-5-(trifluoromethyl)aniline25449-96-1DTXSID50371030RefChem:263518DTXCID70322064671-637-53-Amino-4-methylbenzotrifluoride2-methyl-5-trifluoromethylanilineMFCD001345805-Trifluoromethyl-o-toluidineSCHEMBL3304423-amino-4-methyl-benzotrifluoride

Show more names

-5-(trifL2-Methyl-5-Trifluoromethylanil2-methyl-5-thifluoromethylaniline2-Methy-5-(trifluoroMethyl)aniline5-(Trifluoromethyl)-2-methylaniline3-Amino-4-methylbenzotrifluoride98%3-Amino-4-methylbenzotrifluoride 98%3-AMINO-4-METHYLBENZOTRIFLUORIDE(MTA)

CL8403CS-W017460PS-8606SY032231EN300-966882-methyl-5-(trifluoromethyl)phenylamineBenzenamine, 2-methyl-5-(trifluoromethyl)-Benzenamine, 2-methyl-5-

Database identifiers

CAS: 25449-96-1
PubChem CID: 2735933
DTXSID: DTXSID50371030
EC Number: 671-637-5
Nikkaji: J1.868.766F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 34 · 34-38°C
Boiling point: 74 °C/8mmHg · 74°C/8mmHg(lit.)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
Flash point: 96 °C · 96°C
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to lump
pka: 3.23 · 3.23±0.10(Predicted)
color: Light yellow to Brown
CAS DataBase Reference: 25449 · 25449-96-1(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H331
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: T,Xn
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (22.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (77.8%)

Safety data

ridadr: 2810
hs_code: 2921420090
risk_code: 36/37/38-52-22
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: T,Xn
hazard_note: Toxic
safety_code: 26-36/37/39
hazard_class: 6.1
Hazard statements: H302-H312-H315-H319-H331
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a