Benzyl hydroxycarbamate

Benzyl hydroxycarbamate · Z-HNOH · Z-NHOH · Cbz-NH-OH · N-Z-HYDROXYLAMINE · N-CBZ-HYDROXYLAMINE · Benyl N-hydroxycarbame · Benyl N-hydroxycarbaMate

식별자 및 물리적 특성

CAS No.	3426-71-9
분자식	C8H9NO3
평균 분자량	167.16 g/mol
단동위원소 질량	167.05824315 g/mol
SMILES	O=C(NO)OCc1ccccc1
InChIKey	PQBSPTAPCMSZAA-UHFFFAOYSA-N
PubChem CID	18907
ChEMBL	CHEMBL1086896
EC No.	679-666-5
DTXSID	DTXSID20187827

XLogP	1.2
극성 표면적	58.6
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	143
녹는점	65-70 °C(lit.)
끓는 점	295.73°C (rough estimate)
밀도	1.2917 (rough estimate)
굴절률	1.5570 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	9.20±0.23(Predicted)
색상	하얀색
BRN	1074034
InChI	InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKey	PQBSPTAPCMSZAA-UHFFFAOYSA-N
SMILES	C(OCC1=CC=CC=C1)(=O)NO

White Crystalline Solid

GHS 분류	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 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 (66.7%)
수질 위해 등급(WGK)	3
RTECS 번호	FB1600000
관세 코드	29280000
안전 문구(S)	22-24/25
F 고인화성물질	21
저장 분류	11 - Combustible Solids

N-(Benzyloxycarbonyl)hydroxylamine reacts with cyclohepta-1,3-diene to produce 6-oxa-7-aza-bicyclo[3.2.2]non-8-ene-7-carboxylic acid benzyl ester.