1-chlorobutane

• ChemBase编号: 106209
• 分子式: C4H9Cl
• 平均质量: 92.56726
• 单一同位素质量: 92.03927797
• SMILES: CCCCCl
• Canonical SMILES: CCCCCl
• InChI: InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
• InChIKey: VFWCMGCRMGJXDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chlorobutane
• IUPAC传统名: 1-chlorobutane
• 别名: 丁基氯; 1-氯丁烷; 1-氯丁烷, HPLC级; 1-Chlorobutane; 1-chlorobutane; 1-Chlorobutane, HPLC Grade; 1-CHLOROBUTANE, HPLC/SPECTRO GRADE; Butyl chloride; N-Butyl chloride; Chlorure de butyle; N-Propylcarbinyl chloride; 1-CHLOROBUTANE, CERTIFIED GRADE

登记号

• CAS号: 109-69-3
• EC号: 203-696-6
• MDL号: MFCD00001009
• Beilstein号: 1730909
• 默克索引号: 141560
• PubChem SID: 24846370; 24865930; 162092919; 24872694; 24847640; 24861686; 24851833
• PubChem CID: 8005
• CHEMBL: 47259
• Chemspider ID: 7714
• 美国药典/FDA物质标识码: ZP7R667SGD
• 维基百科标题: 1-Chlorobutane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.1599138
• LogD (pH = 7.4): 2.1599138
• Log P: 2.1599138
• 摩尔折射率: 25.1859 cm^3
• 极化性: 9.914753 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 0.5 g/L (20 °C) in water; Miscible with methanol, ether
• 外观: Colorless liquid; Liquid
• 熔点: -123 °C(lit.); -123°C; -123.1°C; -123°C
• 沸点: 77-78 °C; 77-78 °C(lit.); 77-78°C; 77-78°C; 78°C
• 闪点: 10.4 °F; -12 °C; -12°C(10°F); 17°C (62.6°F); -6°C
• 自燃点: 860 °F
• 密度: 0.886; 0.886 g/ml; 0.886 g/mL at 25 °C(lit.); 0.89 g/mL
• 折射率: 1.4024; n20/D 1.402; n20/D 1.402(lit.)
• 蒸汽压: 80.1 mm Hg @ 78.4 deg C; 80.1 mmHg ( 78.4 °C)
• 蒸汽密度: 3.2 (vs air); 3.2 g/L
• 分配系数: 2.66
• 紫外吸收波长: λ: 220 nm Amax: 1.00; λ: 225 nm Amax: 0.35; λ: 250 nm Amax: 0.05; λ: 300-400 nm Amax: 0.01
• 透光率: 230 nm, ≥65%; 240 nm, ≥95%; 250 nm, ≥98%

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: EJ6300000
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1127; UN1127
• 德国WGK号: 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3YE
• 危险公开号: 11; R:11
• 安全公开号: 9-16-29; S:9-16-29
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 130
• TSCA收录: 是
• GHS危险品标识: GHS02
• GHS警示词: Danger
• NFPA704:
  

  3

  1

  1
• 爆炸极限: 10.1 %
• GHS危险声明: H225; H225-H303
• GHS警示性声明: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A; P210-P273-P403
• 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 1127 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (GC); ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8%; ≥99.9% (GC); 99%; 99.5%; 99.5+%; 99+%
• 级别: analytical standard; anhydrous; B&J Brand (product of Burdick & Jackson); biotech. grade; CHROMASOLV®; for HPLC; for protein sequence analysis; HPLC; HPLC grade; puriss. p.a.; purum; ReagentPlus®
• 适用性: corresponds for Infrared spectrum; in accordance for sequence analysis test
• 蒸发残渣: <0.0003%; ≤0.0003%; ≤0.001%
• 杂质: <0.002% water; <0.020% water; ≤0.0002% free alkali (as NH3); ≤0.001% free acid (as HCl); ≤0.001% non-volatile matter; ≤0.01% water; ≤0.01% water (Karl Fischer); ≤0.5% benzene (UV); ≤1% benzene
• 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: ≤0.1 mg/kg; 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
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: glass distillation
• λ: H2O reference
• 线性分子式: CH3(CH2)3Cl

详细说明

Sigma Aldrich - 293229

包装
1 L in glass bottle

Sigma Aldrich - 19757

General description
可以成本价获得专用手册 (85475)。
Other Notes
可能实行销售限制

Sigma Aldrich - 34958

包装
1, 2, 4×2, 4×4 L in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 496170

包装
1, 2 L in Sure/Seal™
Sure/Seal™ 瓶包装
法律信息
Sure/Seal 商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 125008

包装
1, 2, 2.5 L in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 414255

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 09651

包装
专用 200ml 包装，可直接用于常用测序仪。

参考文献

• The Grignard reagent has been recommended as superior to EtMgBr for the preparation of ethynyl magnesium halides from acetylene. For details, see: Org. Synth. Coll., 8, 606 (1993); for generation and use of the Grignard in the Mn-Cu catalyzed 1,4-addition to an enone, see: Org. Synth. Coll., 9, 328 (1998).