CAS 35203-49-7 N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine (HCID 715666)

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Basic information

CAS: 35203-49-7
Standard SMILES: CNc1ccc(C(F)(F)F)cc1N
InChIKey: KWYSQBACVABOFL-UHFFFAOYSA-N
Molecular formula: C8H9F3N2
Average molar mass: 190.17 g/mol
Monoisotopic mass: 190.07178295

Names & identifiers

Preferred name: N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
IUPAC: 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
English name: N1-METHYL-4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
Molecular formula: C8H9F3N2
Molecular weight: 190.17

Names & synonyms

n1-methyl-4-(trifluoromethyl)benzene-1,2-diamine35203-49-7DTXSID00351968RefChem:365105DTXCID10303034640-310-91-N-methyl-4-(trifluoromethyl)benzene-1,2-diamineMFCD01571385N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine1,2-benzenediamine, N~1~-methyl-4-(trifluoromethyl)-3,4-Diamino-N4-methylbenzotrifluoride[2-amino-4-(trifluoromethyl)phenyl]methylamine

Show more names

BUTTPARK 50\01-73N1-Methyl-4-trifluoroMethyl-o.phenylenediaMineN-methyl-4-(trifluoromethyl)benzene-1,2-diamine[2-amino-4-(trifluoromethyl)phenyl]-methyl-amineN1-methyl-5-(trifluoromethyl)benzene-1,2-diamineN1-Methyl-4-(trifluoromethyl)-1,2-benzenediamine

1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)-1,2-Benzenediamine, N1-methyl-4-(trifluoromethyl)-N1-methyl-4-trifluoromethylbenzene-1,2-diamineSCHEMBL115650N-[2-Amino-4-(trifluoromethyl)-phenyl]-N-methylamineorb3031261CHEMBL5419284Fr12665

Database identifiers

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 53 °C · 53 °C
Boiling point: 249.7 · 249.7±40.0 °C(Predicted)
Density: 1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 5.33 · 5.33±0.11(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Note: Harmful
HS Code: 2921599090 · 2921599090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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.

Safety data

hs_code: 2921599090
Signal word: Warning
Symbol(GHS): GHS07
hazard_note: Harmful
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313