Isopropyl chloroacetate (HCID 7759)

개요

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

이름 및 식별자

우선 이름: Isopropyl chloroacetate
IUPAC: propan-2-yl 2-chloroacetate
현지명: 클로로아세트산이소프로필에스테르
영어명: Isopropyl chloroacetate
분자식: C5H9ClO2
분자량: 136.58

이름 및 동의어

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

이름 더 보기

아이소-프로필클로로아세테이트클로로아세트산이소프로필에스테르아이소-프로필 클로로아세테이트ClCH2AKOS 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 80.5

실험 및 물리화학적 성질

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.

물리화학적 성질

끓는 점: 149 · 149-150 °C(lit.)
밀도: 1.096 g/mL · 1.096 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.419(lit.)
인화점: 159 °F · 159 °F
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 약간 용해됨
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
NIST: Chloroacetic acid isopropyl ester(105-48-6)
EPA: 1 · Acetic acid, chloro-, 1-methylethyl ester (105-48-6)

화학적 성질

CLEAR COLOURLESS TO ALMOST COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

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 · 2건

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

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

Health Hazards · 2건

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

안전 및 보호

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

Accidental Release Measures · 2건

· 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 · 2건

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 · 2건

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

Immediate precautionary measure

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 2947
HS 번호: 29154000
risk_code: 10-25-36/37/38
hazard_code: T
safety_code: 26-37/39-45-1/2
포장분류: III
위험 등급: 3

화학 및 산업

용도 및 제조

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

응용 분야

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

일반 설명A 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.