4-Bromo-2-ethylaniline

HCID 2801283

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Basic information

CAS: 45762-41-2
Standard SMILES: CCc1cc(Br)ccc1N
InChIKey: LGOZNQPHTIGMQJ-UHFFFAOYSA-N
Molecular formula: C8H10BrN
Average molar mass: 200.08 g/mol
Monoisotopic mass: 198.99966142

Names & identifiers

Preferred name: 4-Bromo-2-ethylaniline
IUPAC: 4-bromo-2-ethylaniline
English name: 4-Bromo-2-ethylaniline
Molecular formula: C8H10BrN
Molecular weight: 200.08

Names & synonyms

4-Bromo-2-ethylaniline45762-41-2DTXSID30384229RefChem:519651DTXCID50335253610-270-7MFCD000414342-Ethyl-4-bromoaniline4-Bromo-2-ethyl-anilineBenzenamine, 4-bromo-2-ethyl-EN300-1095834-bromo-2-ethylbenzenamine

Show more names

4-Bromo-2-ethylaniline 96%4-BROMO-2-ETHYLANILINE: TECH.Aniline, 4-broMo-2-ethyl- (7CI)4-BROMO-2-ETHYLANILINE ISO 9001：2015 REACH

4-bromo-2-ethylphenylamineSCHEMBL3825884-Bromo-2-ethylaniline, 96%BDBM625978CS-M2231CK1159AKOS002673925SB77801

Database identifiers

CAS: 45762-41-2
PubChem CID: 2801283
DTXSID: DTXSID30384229
EC Number: 610-270-7
Nikkaji: J578.823D

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: 110 · 110-112°C 2mm
Density: 1.412 g/mL · 1.412 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.597(lit.)
Flash point: 114 °F · 114 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.66 · 3.66±0.10(Predicted)
Appearance: Purple to black Liquid
BRN: 2802710 · 2802710
InChI: 1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
InChIKey: LGOZNQPHTIGMQJ-UHFFFAOYSA-N
SMILES: CCc1cc(Br)ccc1N
CAS DataBase Reference: 45762 · 45762-41-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H331-H226-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280-P304+P340-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 1
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (91.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (91.5%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 1
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07,GHS06
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H312-H331-H226-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P280-P304+P340-P405-P501a

Chemistry & industry

Applications

Uses4-Bromo-2-ethylaniline is used in the synthetic preparation of heteroaryl (arylamino)quinazoline derivatives, which exhibit in vitro antitumor activity.