CAS 63133-82-4 2-Chloro-4,6-dimethylaniline (HCID 113033)

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Basic information

CAS: 63133-82-4
Standard SMILES: Cc1cc(C)c(N)c(Cl)c1
InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
Molecular formula: C8H10ClN
Average molar mass: 155.62 g/mol
Monoisotopic mass: 155.050177

Names & identifiers

Preferred name: 2-Chloro-4,6-dimethylaniline
IUPAC: 2-chloro-4,6-dimethylaniline
English name: 2-Chloro-4,6-dimethylaniline
Molecular formula: C8H10ClN
Molecular weight: 155.62

Names & synonyms

2-Chloro-4,6-dimethylaniline63133-82-46-Chloro-2,4-dimethylanilineBenzenamine, 2-chloro-4,6-dimethyl-2-Chloro-4,6-xylidineDTXSID9040714M21NJ0OHPPEINECS 263-896-4DTXCID70207146-CHLORO-2,4-XYLIDINE2,4-XYLIDINE, 6-CHLORO-RefChem:468792

Show more names

ORO-4,6-DIMETHYLAKOS BBS-00003702TIMTEC-BB SBB004021LABOTEST-BB LT000534502,4-Dimethyl-6-chloroaniline2-chloro-4,6-dimethyl-benzenamin2-Chloro-4,6-dimethylaniline 96%

2-chloro-4,6-dimethyl anilineMFCD000441182-chloro-4,6-dimethylphenylamine2-chloro-4,6-dimethyl-anilineSCHEMBL698002SCHEMBL6378939CHEMBL31846642-Chloro-4,6-dimethylaniline #

Database identifiers

CAS: 63133-82-4
PubChem CID: 113033
DTXSID: DTXSID9040714
ChEMBL: CHEMBL3184664
UNII: M21NJ0OHPP
EC Number: 263-896-4
Nikkaji: J28.393B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 38 · 38-40 °C (lit.)
Boiling point: 256.04 °C · 256.04°C (rough estimate)
Density: 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
refractive index: 1.549 · 1.5490 (estimate)
Flash point: 230 °F · >230 °F
pka: 2.94 · 2.94±0.10(Predicted)
form: solid
InChI: 1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey: LKAQFOKMMXWRRQ-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(N)c(Cl)c1
FDA UNII: 21 NJ0OHPP · M21NJ0OHPP
EPA Substance Registry System: 2 · Benzenamine, 2-chloro-4,6-dimethyl- (63133-82-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 2
risk_code: 23/24/25-36/37/38-40-45
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301+H311+H331-H315-H319-H335-H351
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2-chloro-4,6-dimethyl-: INACTIVE

Applications

Uses2-Chloro-4,6-dimethylaniline is an aromatic amine. It is an organic building block used in chemical synthesis. Its boiling point, freezing point, density and refractive index have been determined.

General Description2-Chloro-4,6-dimethylaniline is an aromatic amine. It is an organic building block used in chemical synthesis. Its boiling point, freezing point, density and refractive index have been determined.