CAS 74345-73-6 (R)-3-(Acetylthio)isobutyryl Chloride (HCID 11830043)

기본 정보

CAS: 74345-73-6
표준 SMILES: CC(=O)SC[C@@H](C)C(=O)Cl
InChIKey: LUDPWTHDXSOXDX-SCSAIBSYSA-N
분자식: C6H9ClO2S
평균 분자량: 180.65 g/mol
단동위원소 질량: 180.0011784

이름 및 식별자

우선 이름: (R)-3-(Acetylthio)isobutyryl Chloride
IUPAC: S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ethanethioate
현지명: (R)-3-(아세틸티오)-2-메틸프로피오닐클로라이드
영어명: (R)-3-(Acetylthio)-2-methylpropionyl chloride
분자식: C6H9ClO2S
분자량: 180.65

이름 및 동의어

74345-73-6(R)-3-(Acetylthio)isobutyryl ChlorideDTXSID00474040RefChem:210891DTXCID10424854677-083-0Captopril impurity 5S-[(2R)-3-chloro-2-methyl-3-oxopropyl] ethanethioate(2R)-3-Acetylthio-2-methylpropionyl Chloride(R)-3-(ACETYLTHIO)-2-METHYLPROPIONYLCHLORIDE(R)-S-(3-chloro-2-methyl-3-oxopropyl) ethanethioateCaptopril Impurity 8

이름 더 보기

(R)-3-(아세틸티오)-2-메틸프로피오닐클로라이드Captopril EP Impurity SCaptopril Reated Compound 4Captopril Related Compound 5(R)-3-(ACETHYLTHIO)ISOBUTYRYL CHLORIDE(R)-ACETYLTHIO 2-METHYLPROPANOYL CHLORIDE(R)-S-[2-(CHLOROFORMYL)PROPYL] THIOACETATEL-3-(Acetylthio)-2-methylpropanoyl chloride

SCHEMBL607225(2R)-3-(ACETYLSULFANYL)-2-METHYLPROPANOYL CHLORIDEAKOS025295688(R)-3-acetylthio-2-methylpropanoyl chloride

데이터베이스 식별자

CAS: 74345-73-6
PubChem CID: 11830043
DTXSID: DTXSID00474040
EC Number: 677-083-0
Nikkaji: J283.176G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

물리화학적 성질

끓는 점: 229 ℃ · 229℃
밀도: 1.224 · 1.224
인화점: 92 ℃ · 92℃
InChI: InChI=1S/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey: LUDPWTHDXSOXDX-SCSAIBSYSA-N
SMILES: C(SC[C@@H](C)C(Cl)=O)(=O)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesMet. Corr. 1 (100%)；Skin Corr. 1C (100%)；Eye Dam. 1 (100%)

안전 데이터

risk_code: 34
safety_code: 36/37/39

화학 및 산업

상·하류 제품 정보

하류 제품

캅토프릴

공급사58 곳

山东玖玥生物科技有限公司15553333686

Suzhou Yuanrui Bio-Tech Co., Ltd+86-18106132862 · [email protected]

济南远泽生物科技有限公司15063396929; 15063396929

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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