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Benzenediazonium

HCID 9718
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2684-02-8
Standard SMILES
N#[N+]c1ccccc1
InChIKey
CIZVQWNPBGYCGK-UHFFFAOYSA-N
Molecular formula
C6H5N2+
Average molar mass
105.12 g/mol
Monoisotopic mass
105.04472458

Overview

Benzenediazonium is the aromatic diazonium ion formed from diazotisation of aniline. It has a role as a hapten.

Names & identifiers

Preferred name
Benzenediazonium
IUPAC
benzenediazonium
English name
benzenediazonium
Molecular formula
C6H5N2
Molecular weight
0

Names & synonyms

BenzenediazoniumBenzenediazonium ionphenyldiazoniumBenzenediazonimbenzenediazonium cation2684-02-82H8TUS6R7AJ83.281BDTXSID9043772CHEBI:64466RefChem:916873DTXCID7023772
Show more names
benzeneazophenyl-diazoniumPHENYLDIAZONIUM IONUNII-2H8TUS6R7ASCHEMBL37140SCHEMBL6536768SCHEMBL28172379SCHEMBL28240022

Database identifiers

CAS
2684-02-8
PubChem CID
9718
DTXSID
DTXSID9043772
ChEBI
CHEBI:64466
UNII
2H8TUS6R7A
Nikkaji
J83.281B

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Formal charge
1
Complexity
105

Physicochemical properties

FDA UNII
2 H8TUS6R7A · 2H8TUS6R7A
Comptox DTXSID
9043772 · DTXSID9043772

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Nitrous acid, cyclopentyl esterp-Diazobenzenesulfonic acidHydrochloric acidAcetic acid

Downstream products

Scarlet 808Phenyl azide4-Phenylazo-1-naphthylaminePhenol, 4-(2-phenyldiazenyl)-3-(trifluoromethyl)-5-(phenylazo)toluene-2,4-diamine

Additional notes

DefinitionChEBI: The aromatic diazonium ion formed from diazotisation of aniline.

Related reactions

12 records
New reaction record
HRID 150175 reaction equation
HRID 150175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 187731 reaction equation
HRID 187731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 285376 reaction equation
HRID 285376As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 299630 reaction equation
HRID 299630As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 300953 reaction equation
HRID 300953As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 958383 reaction equation
HRID 958383As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1118718 reaction equation
HRID 1118718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1129238 reaction equation
HRID 1129238As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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