Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-

HCID 88405

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Basic information

CAS: 20200-22-0
Standard SMILES: CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: WNTLWKOCTHOISL-UHFFFAOYSA-N
Molecular formula: C8H7F3N2O2
Average molar mass: 220.15 g/mol
Monoisotopic mass: 220.04596196

Names & identifiers

Preferred name: Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-
IUPAC: N-methyl-2-nitro-4-(trifluoromethyl)aniline
English name: N-Methyl-2-nitro-4-(trifluoromethyl)aniline
Molecular formula: C8H7F3N2O2
Molecular weight: 220.15

Names & synonyms

N-Methyl-2-nitro-4-(trifluoromethyl)anilineN-Methyl-2-nitro-4-trifluoromethylanilineBenzenamine, N-methyl-2-nitro-4-(trifluoromethyl)-4-(Methylamino)-3-nitrobenzotrifluoride36F275E33MDTXSID7066568RefChem:199738DTXCID503621820200-22-0MFCD00798375N-methyl-2-nitro-4-(trifluoromethyl)benzenamineN-Methyl-N-[2-nitro-4-(trifluoromethyl)-phenyl]amine

Show more names

N-Methyl-2-nitro-4-(trifluoromethyl)5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid 2-chloroethyl esterN-Methyl-2-nitro-4-(trifluoromethyl)aniline, N-Methyl-2-nitro-alpha,alpha,alpha-trifluoro-p-toluidine

methyl[2-nitro-4-(trifluoromethyl)phenyl]amineEINECS 243-586-5Maybridge1_000053Methyl-(2-nitro-4-trifluoromethyl-phenyl)-amineMixCom1_000097SCHEMBL116971UNII-36F275E33MBUTTPARK 45\09-97

Database identifiers

CAS: 20200-22-0
PubChem CID: 88405
DTXSID: DTXSID7066568
UNII: 36F275E33M
EC Number: 243-586-5
Nikkaji: J280.476J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 73 · 73-75 °C(Solv: ethanol (64-17-5))
Boiling point: 262.1 · 262.1±40.0 °C(Predicted)
Density: 1.427 · 1.427±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -3.14 · -3.14±0.25(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3
InChIKey: WNTLWKOCTHOISL-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
FDA UNII: 36 F275E33M · 36F275E33M
EPA Substance Registry System: -2 · Benzenamine, N-methyl-2-nitro-4-(trifluoromethyl)- (20200-22-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2921420090 · 2921420090