CAS 20191-74-6 2-Ethyl-5-nitroaniline (HCID 4155478)

Substructure search Find similar structures

Basic information

CAS: 20191-74-6
Standard SMILES: CCc1ccc([N+](=O)[O-])cc1N
InChIKey: MMZWMCKTKJKIMC-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: 2-Ethyl-5-nitroaniline
IUPAC: 2-ethyl-5-nitroaniline
English name: 2-ethyl-5-nitroaniline
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

2-ethyl-5-nitroaniline20191-74-62-Ethyl-5-nitrobenzenamineDTXSID00400021RefChem:471856DTXCID20350877606-462-52-ethyl-5-nitro-anilineMFCD000340562-Ethyl-5-nitrobenzenamine ,98%2-ethyl-5-nitro-benzenamine4-Nitro-2-amino-1-ethylbenzene

Show more names

Pazopanib Impurity 53Pazopanil Impurity 382-Ethyl-5-nitro-phenylaMine2-Ethyl-5-nitrobenzenamine 98%2-Ethyl-5-nitroaniline 2-Ethyl-5-nitrobenzenamine

DS-5221AC-27055SY017465CS-0012535EN300-108913Benzenamine, 2-ethyl-5-nitro-64694-19-5AMY21006

Database identifiers

CAS: 20191-74-6
PubChem CID: 4155478
DTXSID: DTXSID00400021
EC Number: 606-462-5

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 63 · 63-64℃ (methanol )
Boiling point: 335.3 · 335.3±22.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 2.25 · 2.25±0.10(Predicted)
color: Light yellow to Brown
InChI: InChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
InChIKey: MMZWMCKTKJKIMC-UHFFFAOYSA-N
SMILES: C1(N)=CC([N+]([O-])=O)=CC=C1CC
CAS DataBase Reference: 20191 · 20191-74-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H312
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 41 reports by companies from 4 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: 29214200
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37
Hazard statements: H332-H302-H312
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501