benzyl N-(2,5-dioxooxolan-3-yl)carbamate

HCID 107296
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Basic information

CAS
35739-00-5
Standard SMILES
O=C1CC(NC(=O)OCc2ccccc2)C(=O)O1
InChIKey
OZPYEGOBGWQOSZ-UHFFFAOYSA-N
Molecular formula
C12H11NO5
Average molar mass
249.22 g/mol
Monoisotopic mass
249.06372245

Names & identifiers

Preferred name
benzyl N-(2,5-dioxooxolan-3-yl)carbamate
IUPAC
benzyl N-(2,5-dioxooxolan-3-yl)carbamate
English name
Nsc117449
Molecular formula
C12H11NO5
Molecular weight
249.22

Names & synonyms

35739-00-5benzyl N-(2,5-dioxooxolan-3-yl)carbamateDTXSID70276033RefChem:328677DTXCID70227388832-529-5Benzyl (2,5-dioxotetrahydrofuran-3-yl)carbamateMFCD01217244D-Benzyloxycarbonylaspartic AnhydrideNSC-117449(2,5-Dioxo-tetrahydrofuran-3-yl)carbamic acid benzyl esterNSC117449
Show more names
N-CBz aspartic anhydride-N-(2,5-Dioxotetrahydrofuran-3-yl)Benzyl (2,5-Dioxotetrahydrofuran-3-Yl)Carbamate(WXC01416)N-(Tetrahydro-2,5-dioxo-3-furanyl)carbamic acid phenylmethyl esterCarbamic acid, (tetrahydro-2,5-dioxo-3-furanyl)-, phenylmethyl esterCarbamic acid, N-(tetrahydro-2,5-dioxo-3-furanyl)-, phenylmethyl ester
P2RY6XP2JTSCHEMBL26173913-(Cbz-amino)dihydrofuran-2,5-dioneN-(Benzyloxycarbonyl)aspartic anhydride3-(Cbz-amino)-2,5-dioxotetrahydrofuranBenzyl (2,5-dioxooxolan-3-yl)carbamateSY126779CS-0047104

Database identifiers

CAS
35739-00-5
PubChem CID
107296
DTXSID
DTXSID70276033
UNII
P2RY6XP2JT
EC Number
832-529-5
Nikkaji
J27.223J

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Physicochemical properties

Melting point
130 ℃ · 130℃ (ethyl acetate ethyl ether )
Boiling point
490.2 · 490.2±44.0 °C(Predicted)
Density
1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
9.93 · 9.93±0.20(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H302-H315-H335
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Suppliers14 total

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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