4-bromo-2-ethylaniline hydrochloride

• ChemBase ID: 88895
• Molecular Formular: C8H11BrClN
• Molecular Mass: 236.53664
• Monoisotopic Mass: 234.97633904
• SMILES: Nc1c(cc(cc1)Br)CC.Cl
• Canonical SMILES: CCc1cc(Br)ccc1N.Cl
• InChI: InChI=1S/C8H10BrN.ClH/c1-2-6-5-7(9)3-4-8(6)10;/h3-5H,2,10H2,1H3;1H
• InChIKey: UFDYCSLRMHWHGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-ethylaniline hydrochloride
• IUPAC Traditional name: 4-bromo-2-ethylaniline hydrochloride
• Synonyms: 4-Bromo-2-ethylaniline hydrochloride; 4-Bromo-2-ethylaniline hydrochloride; 4-溴-2-乙基苯胺 盐酸盐

Database IDs

• CAS Number: 30273-22-4
• MDL Number: MFCD00156127
• PubChem SID: 162075792
• PubChem CID: 2801282

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8643231
• LogD (pH = 7.4): 2.870977
• Log P: 2.8710625
• Molar Refractivity: 48.0234 cm^3
• Polarizability: 17.822361 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 222°C dec.
• Hydrophobicity(logP): 0.0

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 95%; 97%; 98%