메틸4-메틸티오펜-2-카르복실레이트

Methyl 4-methylthiophene-2-carboxylate

HCID 2777593

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28686-90-0
표준 SMILES: COC(=O)c1cc(C)cs1
InChIKey: YUJMWNYIBNSQPL-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.0245005

이름 및 식별자

우선 이름: Methyl 4-methylthiophene-2-carboxylate
IUPAC: methyl 4-methylthiophene-2-carboxylate
현지명: 메틸4-메틸티오펜-2-카르복실레이트
영어명: Methyl 4-methylthiophene-2-carboxylate
분자식: C7H8O2S
분자량: 156.2

이름 및 동의어

methyl 4-methylthiophene-2-carboxylate28686-90-0DTXSID10380582RefChem:157635DTXCID40331608893-796-1YUJMWNYIBNSQPL-UHFFFAOYSA-N2-Thiophenecarboxylic acid, 4-methyl-, methyl esterMFCD01763641Methyl 4-Methyl-thiophene-2-carboxylateSCHEMBL131368SCHEMBL131369

이름 더 보기

메틸4-메틸티오펜-2-카르복실레이트2-(Methoxycarbonyl)-4-methylthiophene4-methyl-2-thiophenecarboxylic acid methyl ester4-METHYL-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER2-(Methoxycarbonyl)-4-methylthiophene, Methyl 4-methyl-2-thenoate4-methyl-2-Thiophenecarboxylic acid methyl ester (6CI 8CI 9CI ACI)2-Thiophenecarboxylic acid, 4-methyl-, methyl ester (6CI, 8CI, 9CI, ACI)

orb3030461SCHEMBL1717438SCHEMBL29189478Fr13831DBA68690SBB087166Methyl4-Methylthiophene-2-carboxylateAKOS006229824

데이터베이스 식별자

CAS: 28686-90-0
PubChem CID: 2777593
DTXSID: DTXSID10380582
EC Number: 893-796-1

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: 84 · 84-85 °C(Press: 2 Torr)
밀도: 1.173 · 1.173±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.