pentafluorobenzoyl chloride

• ChemBase编号: 9589
• 分子式: C7ClF5O
• 平均质量: 230.519316
• 单一同位素质量: 229.9557834
• SMILES: C(=O)(c1c(c(c(c(c1F)F)F)F)F)Cl
• Canonical SMILES: Fc1c(F)c(C(=O)Cl)c(c(c1F)F)F
• InChI: InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
• InChIKey: MYHOHFDYWMPGJY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluorobenzoyl chloride
• IUPAC传统名: pentafluorobenzoyl chloride
• 别名: 五氟苯甲酰氯; 五氟苯甲酰氯; 五氟苯酰氯; 2,3,4,5,6-五氟苯甲酰氯; Pentafluorobenzoyl chloride; Pentafluorobenzoic acid chloride; Pentafluorobenzoyl chloride; 2,3,4,5,6-Pentafluorobenzoic acid chloride; 2,3,4,5,6-Pentafluorobenzoyl chloride; NSC 97002; Pentafluorobenzoyl chloride; Perfluorobenzoyl chloride 99%; Perfluorobenzoyl Chloride; 2,3,4,5,6-PENTAFLUOROBENZOYL CHLORIDE; 2,3,4,5,6-Pentafluorobenzoyl chloride

登记号

• CAS号: 2251-50-5; 2251-50-5
• EC号: 218-842-4
• MDL号: MFCD00000657
• Beilstein号: 2054397
• PubChem SID: 24846622; 24898130; 24887041; 160972896; 24887042
• PubChem CID: 75256

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.8776681
• LogD (pH = 7.4): 2.8776681
• Log P: 2.8776681
• 摩尔折射率: 38.2547 cm^3
• 极化性: 13.5756035 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

• 沸点: 158 - 159°C; 158-159 °C(lit.); 158-159°C; 158-159°C
• 密度: 1.6 g/ml; 1.601; 1.601 g/mL at 25 °C(lit.); 1.668
• 折射率: 1.4530; 1.4535; 1.4536; n20/D 1.453; n20/D 1.453(lit.)

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon; LACHRYMATOR, CORROSIVE; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1760; 3265; UN3265
• 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; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 14-34; R:14-34
• 安全公开号: 26-36/37/39-45; 8-26-30-36/37/39-45-60; S:27/28-30-36/37/39-45
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 154
• 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: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.5% (GC); ≥99.0% (GC); 98%; 99%
• 级别: puriss.
• 线性分子式: C6F5COCl

详细说明

MP Biomedicals - 02156090

1 ml = approx. 1.60 g

Apollo Scientific Ltd - PC5530

Useful reagent for the derivatisation of primary amines, etc for GC analysis.

Sigma Aldrich - 103772

Application
GC 衍生化试剂。
包装
1, 5, 25 g in ampule

Sigma Aldrich - 76732

Other Notes
灵敏的衍生化试剂，用于电子俘获气相色谱法分析胺、酰胺和酚1

Toronto Research Chemicals - P270300

Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.

参考文献

• Koster, E. et al.: Analyst, 127, 598 (2002)
• Reagent for the preparation of derivatives of primary amines, etc. for GC. For monographs on GC reagents, see: D. R. Knapp, Handbook of Analytical Derivatisation Reactions, Wiley, N.Y. (1979); Handbook of Derivatives for Chromatography, 2nd ed., K. Blau and J. M. Halket, Eds., Wiley, Chichester (1993).