2-(bromomethyl)-1,3-difluorobenzene

• ChemBase编号: 9102
• 分子式: C7H5BrF2
• 平均质量: 207.0154064
• 单一同位素质量: 205.9542686
• SMILES: BrCc1c(F)cccc1F
• Canonical SMILES: BrCc1c(F)cccc1F
• InChI: InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
• InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(bromomethyl)-1,3-difluorobenzene
• IUPAC传统名: 2-(bromomethyl)-1,3-difluorobenzene
• 别名: α-溴-2,6-二氟甲苯; 2,6-二氟苄基溴; 2-(Bromomethyl)-1,3-difluorobenzene; alpha-Bromo-2,6-difluorotoluene; 2,6-Difluorobenzyl bromide 98%; 2,6-Difluorobenzyl bromide; α-Bromo-2,6-difluorotoluene; 2,6-Difluorobenzyl bromide; 2-(Bromomethyl)-1,3-difluorobenzene

登记号

• CAS号: 85118-00-9
• EC号: 285-652-6
• MDL号: MFCD00000329
• Beilstein号: 2083943
• PubChem SID: 24888085; 160972409; 24856016
• PubChem CID: 581435

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.031387
• LogD (pH = 7.4): 3.031387
• Log P: 3.031387
• 摩尔折射率: 39.3412 cm^3
• 极化性: 14.54538 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

• 熔点: 49-53°C; 51-55°C; 52-55 °C; 52-55 °C(lit.); 53-55°C
• 闪点: >110°C(230°F); 113 °C; 113°C; 235.4 °F
• 密度: 1.600

安全信息

• 保存注意事项: Corrosive/Lachrymatory/Light Sensitive/Moisture Sensitive/Store under Argon; LACHRYMATOR, CORROSIVE
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261; UN1759
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA收录: false; 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

产品相关信息

• 纯度: ≥95.0% (GC); 97%; 97+%
• 级别: purum
• 线性分子式: F2C6H3CH2Br

详细说明

MP Biomedicals - 05221484

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC2743

Can protect alcohols as 2,6-difluorobenzyl ethers see : Helv. Chim. Acta, 79, 1159 (1996), these ethersunlike benzyl ethers are stable during cationic reactions.

Sigma Aldrich - 264431

包装
5, 25 g in glass bottle

参考文献

• Reagent for protection of alcohols as 2,6-difluorobenzyl ethers which can be formed in the presence of Ba(OH)₂ in DMF: Helv. Chim. Acta, 79, 1159 (1996). Unlike benzyl ethers, these are stable during cationic reactions. They can be cleaved by dissolving metal reduction (Ca/NH₃): Chimia, 329 (1991).