1-Isocyanato-3,5-dimethoxybenzene

NOT IN STOCK · 3,5-DIMETHOXYPHENYL ISOCYANATE · 1,3-Dimethoxy-5-isocyanatobenzene · 3,5-Dimethoxyphenyl isocyanate 98% · Benzene, 1-isocyanato-3,5-dimethoxy- · 3,5-Dimethoxyphenyl isocyanate, tech · 1-isocyanato-3,5-dimethoxybenzene(SALTDATA: FREE)

https://huagongshe.com/ko/chemical/2736200

1-Isocyanato-3,5-dimethoxybenzene 분자 구조식

식별자 및 물리적 특성

CAS No.	54132-76-2
분자식	C9H9NO3
평균 분자량	179.17 g/mol
단동위원소 질량	179.05824315 g/mol
SMILES	COc1cc(N=C=O)cc(OC)c1
InChIKey	LEKQOUWMYSIQII-UHFFFAOYSA-N
PubChem CID	2736200
EC No.	625-992-8
DTXSID	DTXSID70371198

화학 및 물리적 성질

XLogP	2.7
극성 표면적	47.9
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	13
형식 전하	0
복잡도	189
녹는점	33-36 °C(lit.)
인화점	>230 °F
저장 조건	2-8°C
InChI	1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3
InChIKey	LEKQOUWMYSIQII-UHFFFAOYSA-N
SMILES	COc1cc(OC)cc(c1)N=C=O

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 3335
관세 코드	2929100090
위험 문구(R)	20/21/22-36/37/38-42
위험 표시	Xn,Xi
안전 문구(S)	26-36
위험 등급	IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
저장 분류	11 - Combustible Solids

용도

일반 설명

3,5-Dimethoxyphenyl isocyanate, also known as 1-isocyanato-3,5-dimethoxybenzene, is an aryl isocyanate.