benzoyl chloride

• ChemBase编号: 89840
• 分子式: C7H5ClO
• 平均质量: 140.567
• 单一同位素质量: 140.00289246
• SMILES: O=C(c1ccccc1)Cl
• Canonical SMILES: ClC(=O)c1ccccc1
• InChI: InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
• InChIKey: PASDCCFISLVPSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzoyl chloride
• IUPAC传统名: benzoyl chloride
• 别名: 苯甲酰氯; Benzoyl chloride 99%; Benzenecarbonyl Chloride; Benzoic Acid, Chloride; Benzoyl Chloride; a-Chlorobenzaldehyde; BENZOYL CHLORIDE ACS REAGENT GRADE; Benzoyl chloride; Benzoyl chloride

登记号

• CAS号: 98-88-4
• EC号: 202-710-8
• MDL号: MFCD00000653
• Beilstein号: 471389
• 默克索引号: 141112
• PubChem SID: 24854420; 24859253; 24891577; 24855444; 24847897; 162076695
• PubChem CID: 7412
• Chemspider ID: 7134
• KEGG ID: C19168
• 维基百科标题: Benzoyl_chloride

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1641583
• LogD (pH = 7.4): 2.1641583
• Log P: 2.1641583
• 摩尔折射率: 37.1727 cm^3
• 极化性: 14.077384 Å^3
• 极化表面积: 17.07 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

• 溶解度: reacts in water
• 外观: colorless liquid
• 熔点: -.6 °C; -1 °C(lit.); -1°C; -1°C
• 沸点: 197.2°C; 197-199°C; 198 °C(lit.); 198°C; 198.3 °C at 1013 hPa
• 闪点: 161.6 °F; 69°C(156°F); 72 °C; 72°C; 93 °C (closed cup and DIN 51755)
• 自燃点: 1056 °F; 600 °C
• 密度: 1.21 g/cm^3 at 20 °C; 1.21 g/mL, liquid; 1.211; 1.211 g/mL at 25 °C(lit.)
• 折射率: 1.553; 1.5535; n20/D 1.553; n20/D 1.553(lit.)
• 蒸汽压: .5 hPa at 20 °C; 1 mmHg ( 32 °C)
• 蒸汽密度: 4.88 (air = 1); 4.88 (vs air)
• 转变温度: freezing point -2.0-0.0 °C

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Corrosive/Harmful/Lachrymatory/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS编号: DM6600000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有毒(Toxic) (T); X
• 联合国危险货物编号: 1736; UN1736
• 德国WGK号: 1
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 4W
• 危险公开号: 20/21/22-34-43; R:34; R34
• 安全公开号: (S1/2) S26 S45; 26-36/37/39-45; S:26-45
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 137
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• 爆炸极限: 4.9 %
• GHS危险声明: H302 + H312 + H332-H314-H317; H311-H302-H332-H317-H314-H318-H227
• GHS警示性声明: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1736 8/PG 2

产品相关信息

• 纯度: ≥98%; ≥98.0%; ≥98.5% (T); ≥99%; ≥99% (GC); ≥99.5% (T); 98.0-100.5% (ACS specification); 99%; 99+%
• 级别: ACS; ACS reagent; purum; REAGENT; ReagentPlus®; SAJ first grade
• 燃烧残渣: ≤0.005%
• 杂质: ≤0.002% P compounds; ≤0.002% phosphorous compounds (as P)
• 痕量阳离子: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.001%; Fe: ≤0.5 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 线性分子式: C6H5COCl

详细说明

MP Biomedicals - 02193881

ACS Reagent Grade
Purity: >98%

Sigma Aldrich - 240540

包装
100 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 320153

包装
1 L in PVC coated
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 259950

包装
1 L in glass bottle
5, 100, 250 mL in glass bottle

Sigma Aldrich - B12695

包装
1, 2.5, 4 L in glass bottle
25 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC