1-chloro-4-ethenylbenzene

• ChemBase ID: 9841
• Molecular Formular: C8H7Cl
• Molecular Mass: 138.59418
• Monoisotopic Mass: 138.0236279
• SMILES: c1c(ccc(c1)C=C)Cl
• Canonical SMILES: C=Cc1ccc(cc1)Cl
• InChI: InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
• InChIKey: KTZVZZJJVJQZHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-ethenylbenzene
• IUPAC Traditional name: P-chlorostyrene
• Synonyms: 4-Chlorostyrene; 4-Chlorostyrene; p-CHLOROSTYRENE; 1-Chloro-4-vinylbenzene; 1-Chloro-4-ethenylbenzene; 1-Chloro-4-vinylbenzene; 4-Vinylchlorobenzene; Poly(vinylbenzyl chloride); 4-氯苯乙烯; 4-氯代苯乙烯; 聚(乙烯苄基氯)

Database IDs

• CAS Number: 9080-67-5; 1073-67-2
• EC Number: 214-028-8
• MDL Number: MFCD00135445; MFCD00000632
• Beilstein Number: 1098859
• PubChem SID: 24892931; 160973148
• PubChem CID: 14085

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3139925
• LogD (pH = 7.4): 3.3139925
• Log P: 3.3139925
• Molar Refractivity: 40.5491 cm^3
• Polarizability: 15.710344 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: -16°C; -16°C
• Boiling Point: 191-192°C; 192 °C(lit.); 192°C
• Flash Point: 154.4 °F; 67°C(153°F); 68 °C; 68°C
• Density: 1.089; 1.155; 1.155 g/mL at 25 °C(lit.)
• Refractive Index: 1.565; 1.5650; n20/D 1.565(lit.); n20/D 1.566
• Vapor Pressure: 0.68 mmHg ( 20 °C)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; KEEP COLD, FLAMMABLE
• RTECS: CZ0533000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:10
• Safety Statements: 23-26-37; 26-37; S:9-16-29
• TSCA Listed: true; 否; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P261-P280G-P305+P351+P338-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 97%; 98%; 99%, stab.
• Grade: purum
• Contains: ~0.05% 4-tert-butylcatechol as stabilizer; 500 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4Cl

DETAILS

MP Biomedicals - 05204826

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR2398

Stabilised with 4-tert-butylcatechol

Sigma Aldrich - C71203

Packaging
10, 50 g in glass bottle