기본 정보
- 표준 SMILES
Cc1ccc(N=C=O)s1- InChIKey
TYOUGUHTXIYXLR-UHFFFAOYSA-N- 분자식
- C6H5NOS
- 평균 분자량
- 139.18 g/mol
- 단동위원소 질량
- 139.00918496
이름 및 식별자
- 우선 이름
- 2-Isocyanato-5-methylthiophene
- IUPAC
- 2-isocyanato-5-methylthiophene
- 현지명
- 5-메틸티엔-2-일이소시아네이트
- 영어명
- 5-Methyl-thiphene-2-isocyanate
- 분자식
- C6H5NOS
- 분자량
- 139.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
76536-99-7- PubChem CID
- 11629619
- DTXSID
DTXSID80469676- EC Number
- 880-181-8
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 142
물리화학적 성질
- 물리적 상태
- 액체
안전 및 규제
GHS 분류
GHS Classification
Danger
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];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
안전 데이터
- HS 번호
- 2929100090
화학 및 산업
응용 분야
용도5-Methyl-thiphene-2-isocyanate is used in the preparation of p38 kinase inhibitors.
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