Benzoyl isocyanate

BENZOYL ISOCYANATE · Benzoyl isocyanate-90% · Benzoyl isocyanate (9CI) · Benzoyl isocyanate, 90%, tech · BENZOYL ISOCYANATE, TECH., 90% · Benzoyl isocyanate, pract., 95% · Benzoyl isocyanate, tech., 90% 5GR · Benzoyl isocyanate technical grade, 90%

https://huagongshe.com/ko/chemical/78210

식별자 및 물리적 특성

CAS No.	4461-33-0
분자식	C8H5NO2
평균 분자량	147.13 g/mol
단동위원소 질량	147.0320284 g/mol
SMILES	O=C=NC(=O)c1ccccc1
InChIKey	LURYMYITPCOQAU-UHFFFAOYSA-N
PubChem CID	78210
EC No.	224-717-5
DTXSID	DTXSID90196249

화학 및 물리적 성질

XLogP	2.6
극성 표면적	46.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	188
SpringerMaterials Properties	Chemical shift
녹는점	25.9°C
끓는 점	94-96 °C21 mm Hg(lit.)
밀도	1.171 g/mL at 25 °C(lit.)
굴절률	n20/D 1.5514(lit.)
인화점	162 °F
저장 조건	-20°C
물리적 상태	고체
색상	투명하거나 흐릿한 무색또는 흰색
BRN	878595
InChI	1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChIKey	LURYMYITPCOQAU-UHFFFAOYSA-N
SMILES	O=C=NC(=O)c1ccccc1

화학적 성질

clear colourless liquid

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 43 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 2206 6.1/PG 3
관세 코드	29291000
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn
안전 문구(S)	26-27-28-36/37/39
포장분류	II
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

Benzoyl isocyanate was used as a capping reagent for low-reactivity hydroxy groups in the solid-phase-supported oligosaccharide synthesis.

일반 설명

The reaction mechanism of benzoyl isocyanate with 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene was studied.