4-Chloro-3-methylaniline

HCID 23536CAS 7149-75-9

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(N)ccc1Cl
InChIKey: HIHCTGNZNHSZPP-UHFFFAOYSA-N
Molecular formula: C7H8ClN
Average molar mass: 141.6 g/mol
Monoisotopic mass: 141.03452694

Names & identifiers

Preferred name: 4-Chloro-3-methylaniline
IUPAC: 4-chloro-3-methylaniline
English name: 4-Chloro-3-methylaniline
Molecular formula: C7H8ClN
Molecular weight: 141.6

Names & synonyms

4-Chloro-3-methylaniline7149-75-95-Amino-2-chlorotolueneBenzenamine, 4-chloro-3-methyl-4-Chloro-m-toluidine3-METHYL-4-CHLOROANILINEm-Toluidine, 4-chloro-(4-Chloro-3-methylphenyl)amineUNII-6Q2W6L7BWZ6Q2W6L7BWZNSC-723294-Chloro-3-Methylbenzenamine

Show more names

4-Chloro-3-toluidine4-Chloro-3-methylani5-AMINO-3-CHLOROTOLUENE3-Amino-6-chlorotoluene

2-CHLORO-5-AMINOTOLUENEDTXSID5073377HIHCTGNZNHSZPP-UHFFFAOYSA-NSC 72329BENZENAMINE, 4-CHLORO-3-METHYLRefChem:98434DTXCID5047039615-298-3

Database identifiers

CAS: 7149-75-9
PubChem CID: 23536
DTXSID: DTXSID5073377
UNII: 6Q2W6L7BWZ
EC Number: 615-298-3
Nikkaji: J153.390H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 82 · 82-86 °C(lit.)
Boiling point: 230.64 °C · 230.64°C (rough estimate)
Density: 1.1359 · 1.1359 (rough estimate)
refractive index: 1.588 · 1.5880 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Powder
pka: 4.08 · 4.08±0.10(Predicted)
color: Yellow
BRN: 636522 · 636522
CAS DataBase Reference: 7149 · 7149-75-9(CAS DataBase Reference)
FDA UNII: 6 Q2W6L7BWZ · 6Q2W6L7BWZ
NIST Chemistry Reference: 4 · M-toluidine, 4-chloro-(7149-75-9)
EPA Substance Registry System: 4 · 4-Chloro-3-methylaniline (7149-75-9)
Symbol(GHS): 6 · GHS06,GHS07,GHS08
Signal word: Warning
Hazard statements: 301 · H301+H311+H331-H370-H372-H302-H312-H331-H373-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P304+P340-P501a-P260-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P307+P311-P403+P233-P405-P501
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-36/37/39-22
RIDADR: 2239 · 2239
WGK Germany: 3 · 3
Hazard Note: Harmful
TSCA: No
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214300 · 29214300

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.6%)

Safety data

wgk: 3
tsca: No
ridadr: 2239
hs_code: 29214300
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS06,GHS07,GHS08
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36-36/37/39-22
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H370-H372-H302-H312-H331-H373-H315-H319-H335
Precautionary statements: P261-P305+P351+P338-P304+P340-P501a-P260-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P307+P311-P403+P233-P405-P501