2-(4-chlorophenyl)ethan-1-amine

• ChemBase ID: 10676
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: c1c(ccc(c1)CCN)Cl
• Canonical SMILES: NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
• InChIKey: SRXFXCKTIGELTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)ethan-1-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)ethanamine
• Synonyms: 4-Chlorophenethylamine; 2-(4-Chlorophenyl)ethylamine; 4-Chlorophenethylamine; 2-(4-Chlorophenyl)ethylamine; β-(p-CHLOROPHENYL)ETHYLAMINE; 2-(4-Chlorophenyl)ethanamine; (4-Chlorobenzyl)MethylaMine; 4-氯苯乙胺; 2-(4-氯苯基)乙胺

Database IDs

• CAS Number: 156-41-2; 104-11-0
• EC Number: 205-853-4
• MDL Number: MFCD00008191
• Beilstein Number: 508247
• PubChem SID: 24892877; 160973983
• PubChem CID: 67430

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.017461
• LogD (pH = 7.4): -0.3024305
• Log P: 1.9917201
• Molar Refractivity: 44.0912 cm^3
• Polarizability: 17.317371 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 242°C-245°C; 60-65 °C/0.1 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 1.112 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.548(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: ClC6H4CH2CH2NH2

DETAILS

MP Biomedicals - 05213843

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C65408

Packaging
5, 25 g in glass bottle