Isopropyl chloroacetate (HCID 7759)

概要

Isopropyl chloroacetate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.

名称と識別子

優先名称: Isopropyl chloroacetate
IUPAC: propan-2-yl 2-chloroacetate
現地名: クロロ酢酸イソプロピル
英語名: Isopropyl chloroacetate
分子式: C5H9ClO2
分子量: 136.58

名称と別名

ISOPROPYL CHLOROACETATE105-48-6Chloroacetic acid isopropyl esterAcetic acid, chloro-, 1-methylethyl esterisopropyl 2-chloroacetateAcetic acid, 2-chloro-, 1-methylethyl esterAcetic acid, chloro-, isopropyl esterCCRIS 7748VNJ65NL2TFEINECS 203-301-7NSC 27789AI3-39184

名称をさらに表示

クロロ酢酸イソプロピルイソプロピル=クロロアセタートクロロ酢酸1-メチルエチルクロロ酢酸イソプロピルクロロ酢酸イソプロピルエステルClCH2AKOS BBS-00003849ClCH2C(O)OCH(CH3)2Isopropyl chloroacetIsopropylchloroacetrateISOPROPYL CHORO ACETATEisopropylchloroethanoateIsopropylChloroacetate>Isopropyl 2-chloroacetate

NSC-27789DTXSID6059316RefChem:792162DTXCID30329131-METHYLETHYL MONOCHLOROACETATEAcetic acid, chloro-, isopropyl ester (8CI)203-301-7propan-2-yl 2-chloroacetate

データベース識別子

CAS: 105-48-6
PubChem CID: 7759
DTXSID: DTXSID6059316
UNII: VNJ65NL2TF
EC Number: 203-301-7
Nikkaji: J79.199G

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 80.5

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point

Physical DescriptionIsopropyl chloroacetate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.

物理化学的性質

沸点: 149 · 149-150 °C(lit.)
比重(密度): 1.096 g/mL · 1.096 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.419(lit.)
闪点: 159 °F · 159 °F
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: わずかに溶ける
InChI: InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N
SMILES: C(OC(C)C)(=O)CCl
CAS データベース: 105 · 105-48-6(CAS DataBase Reference)
NISTの化学物質情報: Chloroacetic acid isopropyl ester(105-48-6)
EPAの化学物質情報: 1 · Acetic acid, chloro-, 1-methylethyl ester (105-48-6)

化学的性質

化学的特性CLEAR COLOURLESS TO ALMOST COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid

Fire Hazards · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

DOT ID and Guide2947 127

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

安全と保護具

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

安全データ

wgk: 1
tsca: TSCA listed
ridadr: UN 2947
hs_code: 29154000
risk_code: 10-25-36/37/38
化審法: (2)-1149
消防法: 危-4-2-III
hazard_code: T
safety_code: 26-37/39-45-1/2
hazard_class: 3
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2-chloro-, 1-methylethyl ester: ACTIVE

応用分野 · 3 件

用途医薬品製造用中間体

使用Isopropyl Chloroacetate is used as a reactant in the design, synthesis, and 3D-QSAR analysis of novel oxadiazolones as protoporphyrinogen oxidase inhibitors.

一般的な説明A clear colorless liquid. Flash point near 60°F. Boiling point near 200°F. Less dense than water. Vapors heavier than air. Used to make other chemicals.