1-(chloromethyl)-4-fluorobenzene

• ChemBase ID: 96998
• Molecular Formular: C7H6ClF
• Molecular Mass: 144.5739432
• Monoisotopic Mass: 144.01420609
• SMILES: ClCc1ccc(cc1)F
• Canonical SMILES: ClCc1ccc(cc1)F
• InChI: InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
• InChIKey: IZXWCDITFDNEBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-fluorobenzene
• IUPAC Traditional name: P-fluorobenzyl chloride
• Synonyms: α-Chloro-4-fluorotoluene; 1-Chloromethyl-4-fluorobenzene; 4-Fluorobenzyl chloride; 1-(chloromethyl)-4-fluorobenzene; p-Fluorobenzyl chloride; 4-Fluorobenzyl chloride 99%; alpha-Chloro-4-fluorotoluene; 4-氟氯苄; 4-氟苄氯; 对氟氯苄; 4-氟苄氯

Database IDs

• CAS Number: 352-11-4
• EC Number: 206-516-4
• MDL Number: MFCD00000913
• Beilstein Number: 742272
• PubChem SID: 24870504; 162083628; 24894954
• PubChem CID: 9602

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: 13.673699 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -18°C; -18°C
• Boiling Point: 185°C; 185°C; 82 °C/26 mmHg(lit.)
• Flash Point: 161.6 °F; 60°C; 69°C(156°F); 72 °C
• Density: 1.207; 1.207 g/mL at 25 °C(lit.); 1.214
• Refractive Index: 1.5130; n20/D 1.513; n20/D 1.513(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2920; UN3265
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H302-H227
• 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: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: FC6H4CH2Cl

DETAILS

Sigma Aldrich - F8004

Packaging
25, 100 g in glass bottle