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Carbonazidic acid, diphenylmethyl ester

HCID 76824
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Basic information

CAS
3312-83-2
Standard SMILES
[N-]=[N+]=NC(=O)OC(c1ccccc1)c1ccccc1
InChIKey
HTNFWNXJCKRKTG-UHFFFAOYSA-N
Molecular formula
C14H11N3O2
Average molar mass
253.26 g/mol
Monoisotopic mass
253.08512659

Names & identifiers

Preferred name
Carbonazidic acid, diphenylmethyl ester
IUPAC
benzhydryl N-diazocarbamate
English name
Azidoformic acid diphenylmethyl ester
Molecular formula
C14H11N3O2
Molecular weight
253.26

Names & synonyms

Carbonazidic acid, diphenylmethyl ester3312-83-2Formic acid, azido-, diphenylmethyl esterDTXSID5062970RefChem:574344DTXCID4038637diphenylmethyl carbonazidatebenzhydrylazidoformateBenzhydryl carbonazidatebenzhydryloxycarbonyl azideN-diazo-carbamic acid benzhydryl esterAzidoformic acid diphenylmethyl ester

Database identifiers

CAS
3312-83-2
PubChem CID
76824
DTXSID
DTXSID5062970
Nikkaji
J421.672E

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
40.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
323

Physicochemical properties

EPA Substance Registry System
Carbonazidic acid, diphenylmethyl ester (3312-83-2)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbonazidic acid, diphenylmethyl ester: INACTIVE

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Related reactions

4 records
New reaction record
HRID 65602 reaction equation
HRID 65602As reactantuspto-grants-1978_12
HRID 157152 reaction equation
HRID 157152As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1370544 reaction equation
HRID 1370544As reactantuspto-grants-2003_06
HRID 2228943 reaction equation
HRID 2228943As reactantuspto-grants-2002_07

Compound notes

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