CAS 5751-82-6 Ethyl 5-chlorothiophene-2-carboxylate (HCID 521808)

기본 정보

CAS: 5751-82-6
표준 SMILES: CCOC(=O)c1ccc(Cl)s1
InChIKey: BMOKMXXTOZFEIZ-UHFFFAOYSA-N
분자식: C7H7ClO2S
평균 분자량: 190.65 g/mol
단동위원소 질량: 189.9855283

이름 및 식별자

우선 이름: Ethyl 5-chlorothiophene-2-carboxylate
IUPAC: ethyl 5-chlorothiophene-2-carboxylate
영어명: ETHYL 5-CHLOROTHIOPHENE-2-CARBOXYLATE
분자식: C7H7ClO2S
분자량: 190.65

이름 및 동의어

Ethyl 5-chlorothiophene-2-carboxylate5751-82-6DTXSID20334738RefChem:344330DTXCID70285827BMOKMXXTOZFEIZ-UHFFFAOYSA-NMFCD000517325-Chlorothiophene-2-carboxylic acid ethyl esterETHYL5-CHLOROTHIOPHENE-2-CARBOXYLATEEthyl 5-chloro-2-thiophenecarboxylateFS-2642AC-25599

이름 더 보기

RARECHEM AL BI 0303Rivaroxaban impurity P2-OEthyl 5-chlorothiophene-2-carboxlate2- chlorinethiophene -5-ethyl forMateEthyl5-Chlorothiophene-2-carboxylate>Ethyl 5-chlorothiophene-2-carboxylate, 98+%

SY0200975-chloro-thiophene-2-carboxylic acid ethyl ester2-Thiophenecarboxylic acid, 5-chloro-, ethyl ester5-chloro-2-thiophenecarboxylic acid ethyl esterAMY23336Ethyl 5-chlorothiophene-2-carboxateFT-0626122SCHEMBL1455540

데이터베이스 식별자

CAS: 5751-82-6
PubChem CID: 521808
DTXSID: DTXSID20334738
EC Number: 681-011-3
Nikkaji: J1.650.227H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 70 · 70-71°C 1mm
밀도: 1.312 · 1.312±0.06 g/cm3(Predicted)
굴절률: 1.538 · 1.5380
인화점: 70 · 70-71°C/1mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 128707 · 128707

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.