Benzyl hydroxycarbamate (HCID 18907)

Names & identifiers

Preferred name: Benzyl hydroxycarbamate
IUPAC: benzyl N-hydroxycarbamate
English name: BENZYL N-HYDROXYCARBAMATE
Molecular formula: C8H9NO3
Molecular weight: 167.16

Names & synonyms

Benzyl N-hydroxycarbamate3426-71-9Benzyl hydroxycarbamateN-BenzyloxycarbonylhydroxylamineN-Cbz-hydroxylamineN-(Benzyloxycarbonyl)hydroxylamineCarbamic acid, hydroxy-, phenylmethyl esterAB5I7L0KH1CCRIS 5076CARBAMIC ACID, HYDROXY-, BENZYL ESTERBRN 1074034N-Hydroxycarbamic Acid Benzyl Ester

Show more names

Z-HNOHZ-NHOHCbz-NH-OHN-Z-HYDROXYLAMINEBenyl N-hydroxycarbameBenyl N-hydroxycarbaMateN-CARBOBENZOXYHYDROXYLAMINE

Carbamic acid, N-hydroxy-, phenylmethyl esterNSC 5285061-06-00-00221 (Beilstein Handbook Reference)NSC-528506DTXSID20187827RefChem:566756DTXCID80110318679-666-5

Database identifiers

CAS: 3426-71-9
PubChem CID: 18907
DTXSID: DTXSID20187827
ChEMBL: CHEMBL1086896
UNII: AB5I7L0KH1
EC Number: 679-666-5、918-213-0
Nikkaji: J265.508J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 65 · 65-70 °C(lit.)
Boiling point: 295.73 °C · 295.73°C (rough estimate)
Density: 1.2917 · 1.2917 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.2 · 9.20±0.23(Predicted)
color: White
Sensitive: Moisture Sensitive
BRN: 1074034 · 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
CAS DataBase Reference: 3426 · 3426-71-9(CAS DataBase Reference)
FDA UNII: 5 I7L0KH1 · AB5I7L0KH1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 1600000 · FB1600000
F: 21 · 21
HS Code: 29280000 · 29280000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

F: 21
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: FB1600000
hs_code: 29280000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501

Chemistry & industry

Applications

UsesN-(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.