CAS 29027-20-1 3-Chloro-5-methylaniline (HCID 12475434)

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Basic information

CAS: 29027-20-1
Standard SMILES: Cc1cc(N)cc(Cl)c1
InChIKey: XUZCJDBXXYJXDD-UHFFFAOYSA-N
Molecular formula: C7H8ClN
Average molar mass: 141.6 g/mol
Monoisotopic mass: 141.03452694

Names & identifiers

Preferred name: 3-Chloro-5-methylaniline
IUPAC: 3-chloro-5-methylaniline
English name: 3-Chloro-5-methylaniline
Molecular formula: C7H8ClN
Molecular weight: 141.6

Names & synonyms

3-chloro-5-methylaniline29027-20-13-CHLORO-5-METHYLBENZENAMINEDTXSID10499683RefChem:500202DTXCID30450493813-805-4Benzenamine, 3-chloro-5-methyl-MFCD155271973-chloro-5-methyl-aniline3-chloro-5-methyl-phenylamine3-Chloro-5-methylphenylamine

Show more names

m-Toluidine, 5-chloro-3-chloro-5-aminotoluene3-Amino-5-chlorotoluene3-Chloro-5-methylaniline,95%3-Chloro-5-methylaniline 98%

3-Chloro-5-methylbenzenamine; 3-Chloro-5-methylaniline; 3-Chloro-5-methylphenylamineSCHEMBL2098422SCHEMBL11448327SCHEMBL15618625SCHEMBL29467523CL8423AKOS006339900CS-W019843

Database identifiers

CAS: 29027-20-1
PubChem CID: 12475434
DTXSID: DTXSID10499683
EC Number: 813-805-4
Nikkaji: J153.389D

Properties

Computed structural properties

XLogP: 2.2
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

Boiling point: 248.6 · 248.6±20.0℃ (760 Torr)
Density: 1.18 · 1.180±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 104.1 · 104.1±21.8℃
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: Solid
pka: 3.66 · 3.66±0.10(Predicted)
Appearance: Light yellow to brown Liquid
Sensitive: Light Sensitive
InChI: InChI=1S/C7H8ClN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChIKey: XUZCJDBXXYJXDD-UHFFFAOYSA-N
SMILES: C1(N)=CC(C)=CC(Cl)=C1
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H373
Precautionary statements: 260 · P260-P280-P301+P312a-P304+P340-P305+P351+P338-P501a

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, 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 2 reports by companies from 2 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

hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_class: 6.1
Hazard statements: H302-H312-H315-H319-H332-H373
Precautionary statements: P260-P280-P301+P312a-P304+P340-P305+P351+P338-P501a