1-(chloromethyl)-2-fluorobenzene

• ChemBase ID: 96990
• Molecular Formular: C7H6ClF
• Molecular Mass: 144.5739432
• Monoisotopic Mass: 144.01420609
• SMILES: ClCc1c(cccc1)F
• Canonical SMILES: ClCc1ccccc1F
• InChI: InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• InChIKey: MOBRMRJUKNQBMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-2-fluorobenzene
• IUPAC Traditional name: O-fluorobenzyl chloride
• Synonyms: alpha-Chloro-2-fluorotoluene; α-Chloro-2-fluorotoluene, 1-Chloromethyl-2-fluorobenzene; 2-Fluorobenzyl chloride; o-FLUOROBENZYL CHLORIDE; 2-Fluorobenzyl chloride 98%; α-Chloro-2-fluorotoluene; 1-Chloromethyl-2-fluorobenzene; 2-Fluorobenzyl chloride; 1-(ChloroMethyl)-2-fluorobenzene; 2-氟苄氯; 2-氟氯苄; 2-氟苄氯; 邻氟氯苄

Database IDs

• CAS Number: 345-35-7
• EC Number: 206-460-0
• MDL Number: MFCD00000892
• Beilstein Number: 471699
• PubChem SID: 162083622; 24894945; 24870486
• PubChem CID: 9580

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7031898
• LogD (pH = 7.4): 2.7031898
• Log P: 2.7031898
• Molar Refractivity: 36.1413 cm^3
• Polarizability: 13.67359 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 175°C; 175°C; 86 °C/40 mmHg(lit.)
• Flash Point: 134.6 °F; 57 °C; 57°C; 57°C(134°F)
• Density: 1.216; 1.216 g/mL at 25 °C(lit.)
• Refractive Index: 1.5154; n20/D 1.514(lit.); n20/D 1.515

Safety Information

• Storage Warning: Corrosive/Flammable/Lachrymatory
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: 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 2920 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: FC6H4CH2Cl

DETAILS

MP Biomedicals - 05212200

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F7601

Packaging
25 g in glass bottle