1-(chloromethyl)-4-ethenylbenzene

• ChemBase ID: 147841
• Molecular Formular: C9H9Cl
• Molecular Mass: 152.62076
• Monoisotopic Mass: 152.03927797
• SMILES: C=Cc1ccc(cc1)CCl
• Canonical SMILES: ClCc1ccc(cc1)C=C
• InChI: InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
• InChIKey: ZRZHXNCATOYMJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-ethenylbenzene
• IUPAC Traditional name: 1-(chloromethyl)-4-ethenylbenzene
• Synonyms: 4-(Chloromethyl)styrene; 4-Vinylbenzyl chloride; 1-(Chloromethyl)-4-ethenyl-Benzene; 4-氯甲基苯乙烯; 4-乙烯基苄氯

Database IDs

• CAS Number: 1592-20-7
• EC Number: 216-471-2
• MDL Number: MFCD00051362
• Beilstein Number: 2204384
• PubChem SID: 162242024; 24867308; 24889959
• PubChem CID: 74126

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.29719
• LogD (pH = 7.4): 3.29719
• Log P: 3.29719
• Molar Refractivity: 45.6112 cm^3
• Polarizability: 17.50684 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 229 °C(lit.)
• Flash Point: 104 °C; 219.2 °F
• Density: 1.083 g/mL at 20 °C; 1.083 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.572; n20/D 1.572(lit.)
• Viscosity: 1,830 cP(25 °C)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 21/22-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H314-H317
• GHS Precautionary statements: P280-P305 + P351 + P338-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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); 90%
• Grade: technical
• Contains: 0.05% 4-tert-butylcatechol as stabilizer; 0.05% nitroparaffin as stabilizer; 500 ppm tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4CH2Cl

DETAILS

Sigma Aldrich - 436887

Packaging
25, 100 mL in glass bottle
Application
Component of ion exchange resins, photo-resist polymers, cross-linkable fibers, coupling agents and electroconducting polymers.Starter for various copolymer preparations.1,2,3Dual functional monomer. Readily derivatized by chloride displacement.

Sigma Aldrich - 94907

Packaging
50, 250 mL in glass bottle