N,N-Dimethyl-3-chloroaniline

HCID 23285

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Basic information

CAS: 6848-13-1
Standard SMILES: CN(C)c1cccc(Cl)c1
InChIKey: CHHCCYVOJBBCIY-UHFFFAOYSA-N
Molecular formula: C8H10ClN
Average molar mass: 155.62 g/mol
Monoisotopic mass: 155.050177

Names & identifiers

Preferred name: N,N-Dimethyl-3-chloroaniline
IUPAC: 3-chloro-N,N-dimethylaniline
English name: 3-Chloro-N,N-dimethylaniline
Molecular formula: C8H10ClN
Molecular weight: 155.62

Names & synonyms

3-Chloro-N,N-dimethylaniline6848-13-1N,N-Dimethyl-3-chloroanilineBenzenamine, 3-chloro-N,N-dimethyl-5BFR4B47YAEINECS 229-935-4n,n-dimethyl-m-chloroaniline3-CHLORO-N,N-DIMETHYLBENZENAMINEDTXSID8064488RefChem:822456DTXCID9046027229-935-4

Show more names

TIMTEC-BB SBB0082733-Dimethylamino-1-chlorobenzene3-chloro-n,n-dimethyl-benzenamin1-Chloro-3-(dimethylamino)benzene1-(Dimethylamino)-3-chlorobenzene

3-Chloro-NN-dimethylanilineMFCD00018456M-CHLORO-N,N-DIMETHYLANILINE(3-chlorophenyl)dimethylamineN1,N1-dimethyl-3-chloroanilineBenzenamine,3-chloro-N,N-dimethyl-UNII-5BFR4B47YASCHEMBL60096

Database identifiers

CAS: 6848-13-1
PubChem CID: 23285
DTXSID: DTXSID8064488
UNII: 5BFR4B47YA
EC Number: 229-935-4
Nikkaji: J265.928J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 103

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Boiling point: 230 · 230-232°C
Density: 1.1177 · 1.1177 (rough estimate)
refractive index: 1.576 · 1.5760
Flash point: 230 · 230-232°C
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
form: clear liquid
pka: 3.83 · 3.83(at 20℃)
color: Light yellow to Brown
Water Solubility: Not miscible or difficult to mix in water.
BRN: 2206152 · 2206152
CAS DataBase Reference: 6848 · 6848-13-1(CAS DataBase Reference)
FDA UNII: 5 BFR4B47YA · 5BFR4B47YA
EPA Substance Registry System: -3 · N,N-Dimethyl-3-chloroaniline (6848-13-1)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H302-H312-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 28 · 28-36/37
RIDADR: 2810 · 2810
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
ridadr: 2810
hs_code: 2921420090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
safety_code: 28-36/37
hazard_class: 6.1
packing_group: III
Hazard statements: H302+H312+H332-H315-H319-H302-H312-H331
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 3-chloro-N,N-dimethyl-: INACTIVE

Applications

UsesIt can be used to produce 3-(3-dimethylamino-phenyl)-acrylic acid butyl ester at the temperature of 140°C in the presence of reagent Na2CO3 and solvent N,N-dimethyl-acetamide with the reaction time of 20 hours.