1-bromo-4-ethenylbenzene

• ChemBase编号: 91762
• 分子式: C8H7Br
• 平均质量: 183.04518
• 单一同位素质量: 181.97311222
• SMILES: Brc1ccc(cc1)C=C
• Canonical SMILES: C=Cc1ccc(cc1)Br
• InChI: InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
• InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-bromo-4-ethenylbenzene
• IUPAC传统名: 4-bromostyrene
• 别名: 4-溴苯乙烯; 4-溴代苯乙烯; 4-Bromostyrene 98%; 4-Bromostyrene; p-BROMO STYRENE; 1-bromo-4-ethenylbenzene; 1-Bromo-4-vinylbenzene; 4-BROMOSTYRENE

登记号

• CAS号: 2039-82-9
• EC号: 218-022-6
• MDL号: MFCD00000110
• Beilstein号: 1634204
• PubChem SID: 162078461; 24847600
• PubChem CID: 16263

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.4787004
• LogD (pH = 7.4): 3.4787004
• Log P: 3.4787004
• 摩尔折射率: 43.3671 cm^3
• 极化性: 16.544882 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: light greenish-yellow
• 熔点: 142 - 143°C; 3-6°C; 3-6°C
• 沸点: 88-89°C/16mm; 88-89°C/16mm; 89 °C/16 mmHg(lit.)
• 闪点: 167 °F; 75 °C; 75°C; 75°C(167°F)
• 密度: 1.4; 1.4 g/mL at 25 °C(lit.); 1.40 g/mL at 20 °C; 1.400
• 折射率: 1.594; 1.5940; n20/D 1.594(lit.)
• 疏水性(logP): 3.729

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Irritant/Light Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36; 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (GC); 95%; 97%; 98%; 98%, stab. with 0.1% 4-tert-butylcatechol
• 级别: purum
• 其他组分: ~0.1% 3,5-di-tert-butylcatechol as stabilizer; 0.05% 3,5-di-tert-butylcatechol as inhibitor
• 线性分子式: H2C=CHC6H4Br

详细说明

MP Biomedicals - 02198815

Purity: 98%
May be stabilized with 3,5-di-tert-butylcatechol.

MP Biomedicals - 05210792

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR7587

Stabilised with 100ppm 4-tert-Butylcatechol

Sigma Aldrich - 124141

Application
用于通过烯烃交叉复分解反应高效合成硝基烯烃。1
包装
10, 25 g in glass bottle