2-(bromomethyl)oxirane

• ChemBase编号: 107632
• 分子式: C3H5BrO
• 平均质量: 136.9752
• 单一同位素质量: 135.95237678
• SMILES: BrCC1CO1
• Canonical SMILES: BrCC1CO1
• InChI: InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
• InChIKey: GKIPXFAANLTWBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(bromomethyl)oxirane
• IUPAC传统名: epibromohydrin
• 别名: 1-溴-2,3-环氧丙烷; 环氧溴丙烷; 2-(Bromomethyl)oxirane; (Bromomethyl)ethylene Oxide; (Bromomethyl)oxirane; (+/-)-(Bromomethyl)oxirane; (+/-)-3-Bromo-1,2-epoxypropane; 1,2-Epoxy-3-bromopropane; 2,3-Epoxypropyl Bromide; 3-Bromo-1,2-epoxypropane; Bromohydrin; NSC 630; Oxiranylmethyl Bromide; Epibromhydrin; EPIBROMOHYDRIN; 1-Bromo-2,3-epoxypropane; Epibromohydrin

登记号

• CAS号: 3132-64-7
• EC号: 221-525-3
• MDL号: MFCD00005130
• Beilstein号: 79786
• PubChem SID: 24868741; 162094838; 24894378
• PubChem CID: 18430

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.8627767
• LogD (pH = 7.4): 0.8627767
• Log P: 0.8627767
• 摩尔折射率: 23.0405 cm^3
• 极化性: 9.20019 Å^3
• 极化表面积: 9.23 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

• 熔点: -40 °C(lit.)
• 沸点: 134-136 °C(lit.)
• 闪点: 138.2 °F; 59 °C
• 密度: 1.601 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.482; n20/D 1.482(lit.)

安全信息

• RTECS编号: TX4115000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2558
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 22-36/37/38-40
• 安全公开号: 26-36/37
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H226-H302-H315-H319-H335-H351
• GHS警示性声明: P261-P281-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2558 6.1/PG 1

产品相关信息

• 纯度: ≥97.5% (GC); 98%
• 级别: purum
• Empirical Formula (Hill Notation): C3H5BrO

详细说明

Sigma Aldrich - E1012

包装
5, 100, 500 g in glass bottle

Toronto Research Chemicals - E582250

Bromohydrin pyrophosphate enhances antibody-dependent cell-mediated cytotoxicity induced by therapeutic antibodies.

参考文献

• Weng, W., et al.: J. Clin. Oncol., 21, 3940 (2003)
• Shields, R., et al.: J. Biol. Chem., 277, 26733 (2003)
• Sicard, H., et al.: J. Immunol. 175, 5471 (2003)