(1S)-2-Chloro-1-methyl-2-oxoethyl acetate (HCID 11094804)

이름 및 식별자

우선 이름: (1S)-2-Chloro-1-methyl-2-oxoethyl acetate
IUPAC: [(2S)-1-chloro-1-oxopropan-2-yl] acetate
영어명: (S)-(-)-2-Acetoxypropionyl chloride
분자식: C5H7ClO3
분자량: 150.56

이름 및 동의어

(S)-(-)-2-Acetoxypropionyl chloride(1S)-2-chloro-1-methyl-2-oxoethyl acetateDTXSID00454923(2S)-(-)-2-Acetoxypropanoyl chlorideEC 420-610-4RefChem:393879DTXCID90405742420-610-4609-239-036394-75-9(2S)-1-chloro-1-oxopropan-2-yl acetate(S)-(-)-2-acetoxypropionylchloride

이름 더 보기

L-(-)-2-ACETOXYPROPIONYL CHLORIDEAP-CLMosandl reagent2-Peroxyacetyl chlorideO-ACETYL-L-LACTYL CHLORIDES-ACETOXYPROPIONYL CHLORIDE2-Acetoxy propionyl chlorideL-α-Acetoxypropionyl Chloride)-2-Acetoxypropionyl chloride

MFCD00145252(S)-2-acetoxypropionyl chloride[(2S)-1-chloro-1-oxopropan-2-yl] acetateS-2-ACETOXYPROPIONYL CHLORIDESCHEMBL760202(S)-acetoxypropionyl chloride(S)-1-chloro-1-oxopropan-2-yl acetateAS-38669

데이터베이스 식별자

CAS: 36394-75-9
PubChem CID: 11094804
DTXSID: DTXSID00454923
UNII: 4UKJ8YT268
EC Number: 420-610-4、609-239-0
Nikkaji: J1.060.097I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 50 °C5 · 50 °C5 mm Hg(lit.)
밀도: 1.189 g/mL · 1.189 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.423(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(소량으로 용해)
물리적 상태: 투명한 액체
Specific Gravity: 1.19 · 1.19
색상: 무색~연황색
BRN: 1722943 · 1722943
안정성: 흡습성, 수분 민감성
InChI: InChI=1S/C5H7ClO3/c1-3(5(6)8)9-4(2)7/h3H,1-2H3/t3-/m0/s1
InChIKey: ALHZEIINTQJLOT-VKHMYHEASA-N
SMILES: C(Cl)(=O)[C@@H](OC(C)=O)C

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8392

Hazard Classes and Categories · 4건

Flam. Liq. 3 (50%)

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 2918199890
risk_code: 34-43-22
hazard_code: C
safety_code: 26-36/37/39-45-23
포장분류: III
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Frequently used chiral building block. Also used to resolve a bicyclic α-hydroxylactone and to prepare chiral phosphonates used in an enantiomeric excess assay of unprotected amino acids. Useful chiral derivatizing agent.