Methyl 3-methylthiophene-2-carboxylate

HCID 580757

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 81452-54-2
표준 SMILES: COC(=O)c1sccc1C
InChIKey: BRWROFVPMUPMJQ-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.0245005

이름 및 식별자

우선 이름: Methyl 3-methylthiophene-2-carboxylate
IUPAC: methyl 3-methylthiophene-2-carboxylate
영어명: METHYL 3-METHYLTHIOPHENE-2-CARBOXYLATE
분자식: C7H8O2S
분자량: 156.2

이름 및 동의어

methyl 3-methylthiophene-2-carboxylate81452-54-22-Thiophenecarboxylic acid, 3-methyl-, methyl esterDTXSID90342325RefChem:157512DTXCID50293405963-220-4InChI=1/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2HMFCD00234332Methyl 3-methyl-2-thiophenecarboxylate3-Methyl-thiophene-2-carboxylic acid methyl esterSCHEMBL157777

이름 더 보기

RARECHEM AL BF 01783-Methylthiophene-2-Cabroxylate3-methylthiophene-2-carboxylateMethyl 3-methylthienyl-2-carboxylateEethyl3-methylthiophene-2-carboxylateMethyl 3-Methylthiophene-2-carboxylate >Methyl 3-methylthiophene-2-carboxylate ,99%3-Methylthiophen-2-carboxylic acid methyl ester3-methyl-2-thiophenecarboxylic acid methyl ester

METHYL 3-METHYL-THIOPHENE-2-CARBOXYLATECS-W002557DS-11175Methyl 3-methyl-2-thiophenecarboxylate #M2662EN300-719263-methylthiophene-2-carboxylic acid methyl esterAMY33482

데이터베이스 식별자

CAS: 81452-54-2
PubChem CID: 580757
DTXSID: DTXSID90342325
EC Number: 963-220-4
Nikkaji: J2.692.734J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 216 · 216-217°C
밀도: 1.173 · 1.173±0.06 g/cm3(Predicted)
굴절률: 1.5168 · 1.5168
인화점: 216 · 216-217°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 116836 · 116836
InChI: InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey: BRWROFVPMUPMJQ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)SC=CC=1C

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 29151300
safety_code: 23-24/25

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

2-bromo-4H-thieno[2,3-c]pyrrol-6(5H)-one

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

화합물 노트

불러오는 중…