1-(bromomethyl)-2-chlorobenzene

• ChemBase ID: 7985
• Molecular Formular: C7H6BrCl
• Molecular Mass: 205.47954
• Monoisotopic Mass: 203.93413987
• SMILES: c1ccc(c(c1)Cl)CBr
• Canonical SMILES: BrCc1ccccc1Cl
• InChI: InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• InChIKey: PURSZYWBIQIANP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-chlorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2-chlorobenzene
• Synonyms: alpha-Bromo-2-chlorotoluene; 1-(Bromomethyl)-2-chlorobenzene; 2-Chlorobenzyl bromide 97%; o-CHLOROBENZYL BROMIDE; α-Bromo-2-chlorotoluene; 2-Chlorobenzyl bromide; 2-Chlorobenzyl bromide; 1-(Bromomethyl)-2-chlorobenzene; α-溴-2-氯甲苯; 2-氯苄溴

Database IDs

• CAS Number: 611-17-6
• EC Number: 210-257-2
• MDL Number: MFCD00000566
• Beilstein Number: 386264
• PubChem SID: 160971292; 24855194
• PubChem CID: 11905

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3500278
• LogD (pH = 7.4): 3.3500278
• Log P: 3.3500278
• Molar Refractivity: 43.7132 cm^3
• Polarizability: 16.778662 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104 °C/10 mmHg(lit.); 103-104°C/10mm; 103-104°C/10mm
• Flash Point: 108°C(226°F); 109 °C; 109°C; 228.2 °F
• Density: 1.583; 1.583 g/mL at 25 °C(lit.)
• Refractive Index: 1.5920; n20/D 1.592(lit.)

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Light Sensitive/Moisture Sensitive/Store under Argon; LACHRYMATOR, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-36/37
• Safety Statements: 26-27-28-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318; H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥97% (GC); 97%
• Linear Formula: ClC6H4CH2Br

DETAILS

MP Biomedicals - 05214822

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 252255

Packaging
5, 25 g in glass bottle