2,5-Dimethylthiophene-3-carbaldehyde

HCID 2762759

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26421-44-3
표준 SMILES: Cc1cc(C=O)c(C)s1
InChIKey: WVIQPBIZBQRJAD-UHFFFAOYSA-N
분자식: C7H8OS
평균 분자량: 140.2 g/mol
단동위원소 질량: 140.02958588

이름 및 식별자

우선 이름: 2,5-Dimethylthiophene-3-carbaldehyde
IUPAC: 2,5-dimethylthiophene-3-carbaldehyde
영어명: 2,5-Dimethyl-thiophene-3-carbaldehyde
분자식: C7H8OS
분자량: 140.2

이름 및 동의어

2,5-dimethylthiophene-3-carbaldehyde26421-44-3DTXSID70376426RefChem:247637DTXCID303274542,5-Dimethyl-thiophene-3-carbaldehyde2,5-dimethylthiophene-3-carboxaldehyde2,5-dimethyl-3-formylthiopheneMFCD034268953-Thiophenecarboxaldehyde, 2,5-dimethyl-2,5-dimethyl-3-thiophenecarbaldehydeSCHEMBL1834958

이름 더 보기

AKOS B018517TIMTEC-BB SBB009464ART-CHEM-BB B0185172,5-dimethyl-3-thiophenecarboxaldehyde2,5-Dimethylthiophene-3-carboxaldehyde 97%2,5-Dimethylthiophene-3-carboxaldehyde 95+%

SCHEMBL27284224BBA42144SBB009464XH1307AKOS000307380DS-74932,5-dimethyl-thiophene-3-carboxaldehyde3-Thiophenecarboxaldehyde, 2,5-dimethyl

데이터베이스 식별자

CAS: 26421-44-3
PubChem CID: 2762759
DTXSID: DTXSID70376426
EC Number: 675-442-6
Nikkaji: J2.721.862H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 113

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
InChI: InChI=1S/C7H8OS/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3
InChIKey: WVIQPBIZBQRJAD-UHFFFAOYSA-N
SMILES: C1(C)SC(C)=CC=1C=O
LogP: 1.874 · 1.874 (est)

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)

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