Methyl 5-formylthiophene-3-carboxylate

HCID 818925

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 67808-66-6
표준 SMILES: COC(=O)c1csc(C=O)c1
InChIKey: GNXNZRYWBFMVHK-UHFFFAOYSA-N
분자식: C7H6O3S
평균 분자량: 170.19 g/mol
단동위원소 질량: 170.00376505

이름 및 식별자

우선 이름: Methyl 5-formylthiophene-3-carboxylate
IUPAC: methyl 5-formylthiophene-3-carboxylate
영어명: Methyl 2-formyl-4-thiophenecarboxylate
분자식: C7H6O3S
분자량: 170.19

이름 및 동의어

67808-66-6methyl 5-formylthiophene-3-carboxylate3-Thiophenecarboxylic acid, 5-formyl-, methyl esterDTXSID20356011RefChem:817092DTXCID90307070676-752-4Methyl 2-Formyl-4-ThiophenecarboxylateMFCD01859945Methyl 2-formylthiophene-4-carboxylate2-Formylthiophene-4-carboxylic acid methylesterSCHEMBL2940872

이름 더 보기

2-FORMYLTHIOPHENE-4-CARBOXYLICMethyl 2-formylthiophene-4-carboxylate 98%Methyl 2-formylthiophene-4-carboxylate, 95%,5-Formyl-3-Thiophene Carboxylic Acid Methylester5-Formylthiophene-3-carboxylic acid methyl ester2-FORMYLTHIOPHENE-4-CARBOXYLIC ACID METHYL ESTER

GNXNZRYWBFMVHK-UHFFFAOYSA-NCS-D0187methyl5-formylthiophene-3-carboxylateSBB052265AKOS003657321AC-5472FM03076Methyl 5-formyl-3-thiophenecarboxylate

데이터베이스 식별자

CAS: 67808-66-6
PubChem CID: 818925
DTXSID: DTXSID20356011
EC Number: 676-752-4
Nikkaji: J150.337E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 71.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 113 · 113-116°C
끓는 점: 296 · 296.0±25.0 °C(Predicted)
밀도: 1.324 · 1.324±0.06 g/cm3(Predicted)
저장 조건: -20 °C, · -20°C, sealed storage, away from moisture

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.