4-Chlorobutyl Acetate 4-氯丁醇醋酸酯

CAS 6962-92-1 MFCD00001013

化学结构图

6962-92-1
SMILES: CC(=O)OCCCCCl

化学属性

Mol. FormulaC6H11ClO2
Mol. Weight150.60
Refractive index1.4320 to 1.4350
Boiling Point194.9 °C at 760 mmHg
Density1.072 g/mL at 25 °C(lit.)
Flash Point64°C(lit.)
TSCAYes
SolubilityINMISCEABLE

别名和识别编码

Chemical Name4-Chlorobutyl Acetate
CAS Number6962-92-1
PubChem Substance ID23399
EC Number230-158-8
Beilstein Registry Number2(2)141
MDL NumberMFCD00001013
Reaxys-RN1749681
Synonym 4-Chlorobutyl acetate {LY} 4-Chlorobutyl acetate {} {LY} 4-Chlorobutyl acetate {} {} {LY} 4-Chlorobutyl acetate {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyl acetate {} {} {} {} {} {}
Chemical Name Translation4-氯丁醇醋酸酯
InChIKeyPYLDCZJUHYVOAF-UHFFFAOYSA-N
Wiswesser Line NotationG4OV1
InChIInChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
LabNetwork Molecule IDLN00223839
Canonical SMILESCC(=O)OCCCCCl
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Aldrich MSDS 1 , 384:C / Corp MSDS 1 (1), 756:B / FT-IR 2 (1), 1054:C / FT-IR 1 (1), 647:C / FT-NMR 1 (1), 1005:B / IR-Spectra (3), 383:A / IR-Spectra (2), 339:C / RegBook 1 (1), 733:D / Structure Index 1 , 112:D:6 / Vapor Phase 3 , 695:C
  • Beil. 2 ,IV,140
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xi Xi,Xn
RTECSEL1328000
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P332+P313
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P302+P352+P332+P313+P362+P364
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Signal word Warning {} {} {} {} {} {TCI}
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Packing GroupIII
UN Number 3272 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1700 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle contraction or spasticity
   Gastrointestinal - ulceration or bleeding from stomach
   Liver - other changes
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume(issue)/page/year: 26,17,1980

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:乙酸-4-氯丁酯 4-Chlorobutyl Acetate,>;97.0%(GC)(6962-92-1)
  • Sigma Aldrich:6962-92-1(sigmaaldrich)
  • Acros Organics:4-氯丁基乙酸乙酯 4-Chlorobutyl acetate, 98%(6962-92-1)
  • 4-氯丁醇醋酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1098 乙酸4-氯丁酯 4-Chlorobutyl Acetate 25G 373元 2014/06/02 A1098 乙酸4-氯丁酯 4-Chlorobutyl Acetate 250G 1780元 2010/06/21 309780250 4-氯丁醇醋酸酯 4-Chlorobutyl acetate 98% 25 GR 393元
  • MSDS 信息:4-Chlorobutyl acetate(6962-92-1).msds
  • Alfa Aesar:4-氯丁基醋酸酯,98% 4-Chlorobutyl acetate, 98%(6962-92-1)
  • 图谱信息:4-氯丁醇醋酸酯(6962-92-1)核磁图( 13 CNMR) 4-氯丁醇醋酸酯(6962-92-1)质谱(MS) 4-氯丁醇醋酸酯(6962-92-1)核磁图( 1 HNMR)
  • MOL 文件:6962-92-1.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters

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