5-메틸티엔-2-일이소시아네이트

5-메틸티엔-2-일이소시아네이트 · 5-Methylthien-2-yl isocyanate · 2-ISOCYANATO-5-METHYLTHIOPHENE · 5-Methyl-thiphene-2-isocyanate · 5-methyl-2-thiophene isocyanate · 5-Methylthien-2-ylisocyanate97% · 5-Methyl-thiophene-2-isocyanate · Thiophene, 2-isocyanato-5-methyl-

https://huagongshe.com/ko/chemical/11629619

식별자 및 물리적 특성

CAS No.	76536-99-7
분자식	C6H5NOS
평균 분자량	139.18 g/mol
단동위원소 질량	139.00918496 g/mol
SMILES	Cc1ccc(N=C=O)s1
InChIKey	TYOUGUHTXIYXLR-UHFFFAOYSA-N
PubChem CID	11629619
EC No.	880-181-8
DTXSID	DTXSID80469676
현지명	5-메틸티엔-2-일이소시아네이트

화학 및 물리적 성질

XLogP	3.1
극성 표면적	57.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	142
물리적 상태	액체

안전 및 규제

GHS 분류	DangerH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Irrit. 2A (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)
관세 코드	2929100090

용도

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