Methyl 3-isocyanatobenzoate

Methyl 3-isocyanatobenzoate · 3-CARBOMETHOXYPHENYL ISOCYANATE · m-Methoxycarbonylphenyl Isocyanate · 3-Carbomethoxyphenyl isocyanate,99% · 3-CARBOMETHOXYPHENYL ISOCYANATE 99% · 3-(METHOXYCARBONYL)PHENYL ISOCYANATE · 3-isocyanatobenzoic acid methyl ester · 3-Carbomethoxyphenyl isocyanate, GC 97%

https://huagongshe.com/ko/chemical/2733366

식별자 및 물리적 특성

CAS No.	41221-47-0
분자식	C9H7NO3
평균 분자량	177.16 g/mol
단동위원소 질량	177.04259309 g/mol
SMILES	COC(=O)c1cccc(N=C=O)c1
InChIKey	WBGWGERFPSYHDT-UHFFFAOYSA-N
PubChem CID	2733366
EC No.	626-770-3
DTXSID	DTXSID80369864

화학 및 물리적 성질

XLogP	3
극성 표면적	55.7
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	13
형식 전하	0
복잡도	233
녹는점	35-38 °C(lit.)
끓는 점	309.06°C (rough estimate)
밀도	1.3312 (rough estimate)
굴절률	1.5200 (estimate)
인화점	>230 °F
저장 조건	0-6°C

화학적 성질

OFF-WHITE TO LIGHT BROWN CRYSTALLINE SOLID

안전 및 규제

GHS 분류	DangerH302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (11.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 44 reports by companies from 4 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 (11.4%)Skin Irrit. 2 (11.4%)Eye Irrit. 2A (11.4%)Resp. Sens. 1 (100%)STOT SE 3 (11.4%)
수질 위해 등급(WGK)	3
운송 번호(UN)	2811
관세 코드	29291000
위험 문구(R)	43
위험 표시	Xi
안전 문구(S)	36/37
포장분류	III
위험 등급	6.1