4-bromo-2-chloroaniline

• ChemBase ID: 6818
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: c1cc(cc(c1N)Cl)Br
• Canonical SMILES: Brc1ccc(c(c1)Cl)N
• InChI: InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloroaniline
• IUPAC Traditional name: 4-bromo-2-chloroaniline
• Synonyms: 4-Bromo-2-chloroaniline; 4-Bromo-2-chloroaniline; 4-Bromo-2-chloroaniline 98%; 4-溴-2-氯苯胺

Database IDs

• CAS Number: 38762-41-3
• EC Number: 254-118-4
• MDL Number: MFCD00007660
• Beilstein Number: 3117740
• PubChem SID: 24849417; 160970125
• PubChem CID: 610169

CALCULATED PROPERTIES

• Log P: 2.5171173
• Molar Refractivity: 43.186 cm^3
• Polarizability: 16.244553 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.516841
• LogD (pH = 7.4): 2.5171137

PROPERTIES

Physical Property

• Melting Point: 68-72°C; 69-72°C; 70 - 72°C; 70-72 °C(lit.); 70-72°C
• Hydrophobicity(logP): 2.869

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36; 9-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H311-H302-H332
• GHS Precautionary statements: P280; P280H-P302+P352-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%; 98+%
• Linear Formula: BrC6H3(Cl)NH2

DETAILS

MP Biomedicals - 05215330

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 154245

Packaging
10, 50 g in glass bottle