CAS 64063-37-2 2,6-Dichloro-3-methylaniline (HCID 116529)

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Basic information

CAS: 64063-37-2
Standard SMILES: Cc1ccc(Cl)c(N)c1Cl
InChIKey: AYVZXDFCFQSWJD-UHFFFAOYSA-N
Molecular formula: C7H7Cl2N
Average molar mass: 176.04 g/mol
Monoisotopic mass: 174.99555458

Names & identifiers

Preferred name: 2,6-Dichloro-3-methylaniline
IUPAC: 2,6-dichloro-3-methylaniline
English name: 2,6-Dichloro-3-methylaniline
Molecular formula: C7H7Cl2N
Molecular weight: 176.04

Names & synonyms

2,6-Dichloro-3-methylaniline64063-37-2Benzenamine, 2,6-dichloro-3-methyl-2,6-Dichloro-m-toluidineDTXSID70447102,6-Dichloro-3-methylbenzenamineT7QD52545OEINECS 264-649-3DTXCID5024710RefChem:4453782,6-dichloro-3-methylphenylamineMFCD00007676

Show more names

2,6-Dichloro-3-toluidine6-Dichloro-3-Methylaniline3-AMINO-2,4-DICHLOROTOLUENE2,6-dichloro-3-methyl-benzenamin2,6-dichloro-3-methyl-Benzenamine2,6-Dichloro-3-methylaniline 90+%

2,6-Dichloro-3-methyl-benzenamine;UNII-T7QD52545Oorb3029326SCHEMBL1638904SCHEMBL4960086SCHEMBL9374501CHEMBL3184053PDK0316

Database identifiers

CAS: 64063-37-2
PubChem CID: 116529
DTXSID: DTXSID7044710
ChEMBL: CHEMBL3184053
UNII: T7QD52545O
EC Number: 264-649-3
Nikkaji: J236.397F

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

Melting point: 37 · 37-40 °C
Boiling point: 0 °C · 0°C
Density: 1.3789 · 1.3789 (rough estimate)
refractive index: 1.569 · 1.5690 (estimate)
Flash point: 0 °C · 0°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 0.83 · 0.83±0.10(Predicted)
form: Solid
color: White to Off-White
Water Solubility: insoluble
CAS DataBase Reference: 64063 · 64063-37-2(CAS DataBase Reference)
FDA UNII: 7 QD52545O · T7QD52545O
EPA Substance Registry System: 2 · 2,6-Dichloro-3-methylaniline (64063-37-2)
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.