1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate

HCID 75557CAS 2449-05-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1
InChIKey: IRJKSAIGIYODAN-UHFFFAOYSA-N
Molecular formula: C16H14N2O4
Average molar mass: 298.29 g/mol
Monoisotopic mass: 298.09535693

Names & identifiers

Preferred name: 1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
IUPAC: benzyl N-phenylmethoxycarbonyliminocarbamate

Names & synonyms

2449-05-0RefChem:4114061,2-Bis(phenylmethyl) 1,2-diazenedicarboxylateDibenzyl azodicarboxylatedibenzyl diazene-1,2-dicarboxylateDBADMFCD00016737Azodicarboxylic Acid Dibenzyl EsterDTXSID3044887952229-16-21,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) esterDibenzylazodicarboxylate

Show more names

Diazenedicarboxylic Acid Bis(phenylmethyl) Ester; Azodi-Formic Acid Dibenzyl Ester ; Dibenzyl Azodicarboxylate; NSC 620564benzyl N-benzyloxycarbonyliminocarbamatephenylmethyl {[benzyloxycarbonyl]diazenyl}formatebenzyl N-phenylmethoxycarbonyliminocarbamatedibenzylazodicarboxylate,98%SCHEMBL602246SCHEMBL602247CHEMBL3182293

Database identifiers

CAS: 2449-05-0
PubChem CID: 75557
DTXSID: DTXSID3044887
ChEMBL: CHEMBL3182293
EC Number: 219-508-0

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 77.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 350

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21848

Hazard Classes and CategoriesSkin Irrit. 2 (100%)