1-chloro-4-ethenylbenzene

• ChemBase编号: 9841
• 分子式: C8H7Cl
• 平均质量: 138.59418
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 1-chloro-4-ethenylbenzene
• IUPAC传统名: P-chlorostyrene
• 别名: 4-氯苯乙烯; 4-氯代苯乙烯; 聚(乙烯苄基氯); 4-Chlorostyrene; 4-Chlorostyrene; p-CHLOROSTYRENE; 1-Chloro-4-vinylbenzene; 1-Chloro-4-ethenylbenzene; 1-Chloro-4-vinylbenzene; 4-Vinylchlorobenzene; Poly(vinylbenzyl chloride)

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.3139925
• LogD (pH = 7.4): 3.3139925
• Log P: 3.3139925
• 摩尔折射率: 40.5491 cm^3
• 极化性: 15.710344 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Solid
• 熔点: -16°C; -16°C
• 沸点: 191-192°C; 192 °C(lit.); 192°C
• 闪点: 154.4 °F; 67°C(153°F); 68 °C; 68°C
• 密度: 1.089; 1.155; 1.155 g/mL at 25 °C(lit.)
• 折射率: 1.565; 1.5650; n20/D 1.565(lit.); n20/D 1.566
• 蒸汽压: 0.68 mmHg ( 20 °C)

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; KEEP COLD, FLAMMABLE
• RTECS编号: CZ0533000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R:10
• 安全公开号: 23-26-37; 26-37; S:9-16-29
• TSCA收录: true; 否; 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335; H315-H319-H335-H227
• GHS警示性声明: P261-P280G-P305+P351+P338-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: 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)
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%; 99%, stab.
• 级别: purum
• 其他组分: ~0.05% 4-tert-butylcatechol as stabilizer; 500 ppm 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=CHC6H4Cl

详细说明

MP Biomedicals - 05204826

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR2398

Stabilised with 4-tert-butylcatechol

Sigma Aldrich - C71203

包装
10, 50 g in glass bottle