2,4-Dichloro-m-toluidine

HCID 88282

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Basic information

CAS: 19853-79-3
Standard SMILES: Cc1c(Cl)ccc(N)c1Cl
InChIKey: FOYMVHMUBKHXLY-UHFFFAOYSA-N
Molecular formula: C7H7Cl2N
Average molar mass: 176.04 g/mol
Monoisotopic mass: 174.99555458

Names & identifiers

Preferred name: 2,4-Dichloro-m-toluidine
IUPAC: 2,4-dichloro-3-methylaniline
English name: 2,4-Dichloro-3-methylaniline
Molecular formula: C7H7Cl2N
Molecular weight: 176.04

Names & synonyms

2,4-Dichloro-3-methylaniline19853-79-3Benzenamine, 2,4-dichloro-3-methyl-2,4-Dichloro-m-toluidineRP2TBX3D98m-Toluidine, 2,4-dichloro-EINECS 243-371-6DTXSID40665412,4-DICHLORO-3-METHYLBENZENAMINERefChem:443384DTXCID1036175243-371-6

Show more names

2,4-Dichloro-3-Methyl-phenylaMine2,4-Dichloro-3-methylaniline hydrochloride (1:1)(2,4-dichloro-3-methylphenyl)amine hydrochloride(2,4-dichloro-3-methylphenyl)amine(SALTDATA: HCl)

MFCD023347602,4-dichloro-3-methylaniline hydrochloride2,4-dichloro-3-methylphenylamine2,6-DICHLORO-3-AMINOTOLUENEUNII-RP2TBX3D98SCHEMBL2906897ALBB-010213BBL003432

Database identifiers

CAS: 19853-79-3
PubChem CID: 88282
DTXSID: DTXSID4066541
UNII: RP2TBX3D98
EC Number: 243-371-6
Nikkaji: J82.904H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

Boiling point: 258.9 · 258.9±35.0 °C(Predicted)
Density: 1.334 · 1.334±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.14 · 2.14±0.10(Predicted)
form: solid
Appearance: Light yellow to gray Solid
InChI: 1S/C7H7Cl2N.ClH/c1-4-5(8)2-3-6(10)7(4)9;/h2-3H,10H2,1H3;1H
InChIKey: IVGZBIIHDPPDST-UHFFFAOYSA-N
SMILES: ClC1=C(C)C(Cl)=CC=C1N.[H]Cl
FDA UNII: 2 TBX3D98 · RP2TBX3D98
EPA Substance Registry System: 2 · Benzenamine, 2,4-dichloro-3-methyl- (19853-79-3)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2