기본 정보
- CAS
7411-18-9- 표준 SMILES
CSc1ncn[nH]1- InChIKey
QBQOOUMQVKQIQH-UHFFFAOYSA-N- 분자식
- C3H5N3S
- 평균 분자량
- 115.161 g/mol
- 단동위원소 질량
- 115.02041816
이름 및 식별자
- 우선 이름
- 3-Methylthio-4H-1,2,4-triazole
- IUPAC
- 5-(Methylsulfanyl)-1H-1,2,4-triazole
- 현지명
- 3-메틸티오-4H-1,2,4-트라이아졸
- 영어명
- 3-Methylthio-4H-1,2,4-triazole
- 분자식
- C3H5N3S
- 분자량
- 115.16
이름 및 동의어
3-메틸티오-4H-1,2,4-트라이아졸BUTTPARK 82\04-722-methylthio-1,2,4-triazole3-(METHYLTHIO)-1,2,4-TRIAZOLE3-Methylthio-4H-1,2,4-triazole3-(Methylthio)-1H-1,2,4-triazole5-(methylthio)-1H-1,2,4-triazole1H-1,2,4-Triazole, 5-(methylthio)-5-methylsulfanyl-1H-1,2,4-triazole1H-1,2,4-Triazole,3-(methylthio)-(9CI)
데이터베이스 식별자
- CAS
7411-18-9- PubChem CID
- 575378
- DTXSID
DTXSID30341731- EC Number
- 671-507-8
- Nikkaji
- J132.886G
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 66.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 58
물리화학적 성질
- 녹는점
- 102 · 102-104
- 끓는 점
- 293.58 · 293.580±23.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.35 · 1.350±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.28 · 9.280±0.20(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933998090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
공급사13 곳
上海仲因实业有限公司2537653158 16621191650 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
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