1-chloro-2-fluorobenzene

• ChemBase编号: 94455
• 分子式: C6H4ClF
• 平均质量: 130.5473632
• 单一同位素质量: 129.99855603
• SMILES: Clc1c(cccc1)F
• Canonical SMILES: Fc1ccccc1Cl
• InChI: InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
• InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-2-fluorobenzene
• IUPAC传统名: 1-chloro-2-fluorobenzene
• 别名: 1-氯-2-氟苯; 1-Chloro-2-fluorobenzene; 1-Chloro-2-fluorobenzene; 2-Fluorochlorobenzene 99%; o-CHLOROFLUOROBENZENE; 2-Chlorofluorobenzene; 1-Chloro-2-fluorobenzene

登记号

• CAS号: 348-51-6
• EC号: 206-476-8
• MDL号: MFCD00000533
• Beilstein号: 1855301
• PubChem SID: 162081109; 24849976
• PubChem CID: 9583

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.7199924
• LogD (pH = 7.4): 2.7199924
• Log P: 2.7199924
• 摩尔折射率: 31.0792 cm^3
• 极化性: 11.922376 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -43°C; -43°C; -43--42 °C(lit.)
• 沸点: 137-138 °C(lit.); 137-138°C; 137-138°C
• 闪点: 31 °C; 31°C(87°F); 37°C; 87.8 °F
• 密度: 1.24 g/ml; 1.242; 1.244; 1.244 g/mL at 25 °C(lit.)
• 折射率: 1.501; 1.5010; n20/D 1.501(lit.)

安全信息

• 保存注意事项: Flammable/Harmful/Irritant
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-20-36/37/38; 10-36/38
• 安全公开号: 16-26-36/37; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319; H226-H332-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 1993 3/PG 3

产品相关信息

• 纯度: 98%; 98+%; 99%
• 线性分子式: ClC6H4F

详细说明

MP Biomedicals - 02150615

Purity: 99%
1 ml = approx. 1.24 g

Sigma Aldrich - 162302

包装
5 g in glass bottle

参考文献

• Benzyne precursor, compare 1-Bromo-2-fluorobenzene, A10635.
• Lithiation at low temperatures with n-BuLi occurs ortho to F; subsequent reaction with electrophiles provides access to mixed dihalo derivatives such as 3-chloro-2-fluorobenzoic acid: Tetrahedron Lett., 36, 881 (1995). Improved yields are obtained by the use of the superbasic combination of n-BuLi and KO-t-Bu: Tetrahedron Lett., 37, 6551 (1996).