기본 정보
- CAS
24445-35-0- 표준 SMILES
CSc1ccc(C=O)s1- InChIKey
RKXYTFTZODXDEF-UHFFFAOYSA-N- 분자식
- C6H6OS2
- 평균 분자량
- 158.2 g/mol
- 단동위원소 질량
- 157.98600716
이름 및 식별자
- 우선 이름
- 5-(Methylsulfanyl)thiophene-2-carbaldehyde
- IUPAC
- 5-methylsulfanylthiophene-2-carbaldehyde
- 영어명
- 4,6-DICHLORO-2-(TRIFLUOROMETHYL)QUINOLINE
- 분자식
- C6H6OS2
- 분자량
- 158.24
이름 및 동의어
5-(methylsulfanyl)thiophene-2-carbaldehydeRefChem:531403806-953-65-(Methylthio)Thiophene-2-Carbaldehyde24445-35-05-(Methylthio)thiophene-2-carboxaldehyde5-methylsulfanylthiophene-2-carbaldehydeMFCD001737445-methylmercapto-2-thiophenaldehyde5-Methylthio-2-thiophenecarbaldehyde5-Methylsulfanyl-thiophene-2-carbaldehydeEN300-181575
이름 더 보기
BUTTPARK 29\06-46BUTTPARK 147\04-122-(Methylthio)thiophene-5-carboxaldehyde5-(methylthio)-2-thiophenecarboxaldehyde5-Methylsulfanylthiophene-2-carboxaldehyde2-Thiophenecarboxaldehyde, 5-(methylthio)-5-(Methylthio)thiophene-2-carboxaldehyde>
Z3674873682-formyl-5-methylthiothipheneSCHEMBL1838483SCHEMBL6210987DTXSID303717552-Formyl-5-(methylthio)thiopheneZAA445355-methylthiothiophene-2-carbaldehyde
데이터베이스 식별자
- CAS
24445-35-0- PubChem CID
- 2736997
- DTXSID
DTXSID30371755- EC Number
- 806-953-6
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 70.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 105
물리화학적 성질
- 녹는점
- 104 °C · 104 °C
- 끓는 점
- 86 °C · 86°C 0,3mm
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 굴절률
- 1.6624 · 1.6624 (589.3 nm 20℃)
- 물리적 상태
- powder to lump
- 색상
- White to Orange to Green
- InChI
- 1S/C6H6OS2/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
- InChIKey
- RKXYTFTZODXDEF-UHFFFAOYSA-N
- SMILES
- CSc1ccc(C=O)s1
화학적 성질
Orange liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29349990
- risk_code
- 36/37/38-43-41-37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-39-36/37-60-37-23
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
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