4-Chloro-2-ethylaniline

HCID 34871CAS 30273-39-3

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cc(Cl)ccc1N
InChIKey: FRZVXNRFFMHYFO-UHFFFAOYSA-N
Molecular formula: C8H10ClN
Average molar mass: 155.62 g/mol
Monoisotopic mass: 155.050177

Names & identifiers

Preferred name: 4-Chloro-2-ethylaniline
IUPAC: 4-chloro-2-ethylaniline
English name: (4-Chloro-2-ethylphenyl)amine
Molecular formula: C8H10ClN
Molecular weight: 155.62

Names & synonyms

4-chloro-2-ethylanilineRefChem:521035982-082-630273-39-3(4-Chloro-2-ethylphenyl)amine2-Ethyl-4-chloroanilineBenzenamine, 4-chloro-2-ethyl-MFCD01670148ANILINE, 4-CHLORO-2-ETHYL-BRN 28027094-chloro-2-ethyl-anilineSCHEMBL3786384

Show more names

(4-Chloro-2-ethylphenyl)4-chloro-2-ethylbenzenamine4-Chloro-2-ethylaniline, 96%(4-chloro-2-ethylphenyl)amine hydrochloride(4-chloro-2-ethylphenyl)amine(SALTDATA: HCl)

DTXSID10184365FRZVXNRFFMHYFO-UHFFFAOYSA-NFBA27339STK498752AKOS000113325SB75763DA-39698DS-13979

Database identifiers

CAS: 30273-39-3
PubChem CID: 34871
DTXSID: DTXSID10184365
EC Number: 982-082-6
Nikkaji: J669.053J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 113 · 113-114 °C(Press: 6 Torr)
Density: 1.14 · 1.140±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 3.73 · 3.73±0.10(Predicted)
Appearance: Brown to reddish brown Liquid
InChIKey: DTDSCNDLPIBBRV-UHFFFAOYSA-N
SMILES: NC1=CC=C(Cl)C=C1CC.Cl
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H412
Precautionary statements: 301 · P301+P312+P330-P305+P351+P338
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: WGK 3
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H412
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P301+P312+P330-P305+P351+P338