5-메틸티엔-2-일이소시아네이트

2-Isocyanato-5-methylthiophene

HCID 11629619CAS 76536-99-7

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

2-isocyanato-5-methylthiophene76536-99-7DTXSID80469676RefChem:262301DTXCID304204945-Methylthien-2-yl isocyanate5-Methyl-thiophene-2-isocyanateThiophene,2-isocyanato-5-methyl-MFCD098175472-isocyanato-5-methyl-thiophene5-methylthiophen-2-isocyanateSCHEMBL666729
이름 더 보기
5-메틸티엔-2-일이소시아네이트5-Methyl-thiphene-2-isocyanate5-methyl-2-thiophene isocyanate5-Methylthien-2-ylisocyanate97%Thiophene, 2-isocyanato-5-methyl-5-Methylthien-2-yl isocyanate 97%
5-methyl-2-thienyl isocyanateTYOUGUHTXIYXLR-UHFFFAOYSA-NBDA53699SBB086099AKOS000171617PS-10314DB-075143EN300-94843

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

물리화학적 성질

물리적 상태
액체

안전 및 규제

GHS 분류

GHS Classification · 5건

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

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);Resp. Sens. 1 (100%);STOT SE 3 (100%)

안전 데이터

HS 번호
2929100090

화학 및 산업

응용 분야

용도5-Methyl-thiphene-2-isocyanate is used in the preparation of p38 kinase inhibitors.

공급사3 곳

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

관련 반응

1건

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