4-Azidobenzaldehyde

HCID 90385CAS 24173-36-2

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Basic information

Standard SMILES: [N-]=[N+]=Nc1ccc(C=O)cc1
InChIKey: SDJOUGYEUFYPLL-UHFFFAOYSA-N
Molecular formula: C7H5N3O
Average molar mass: 147.13 g/mol
Monoisotopic mass: 147.04326178

Names & identifiers

Preferred name: 4-Azidobenzaldehyde
IUPAC: 4-azidobenzaldehyde
English name: p-azidobenzaldehyde
Molecular formula: C7H5N3O
Molecular weight: 147.14

Names & synonyms

4-Azidobenzaldehyde24173-36-2p-AzidobenzaldehydeBenzaldehyde, 4-azido-para-azidobenzaldehydeN5F6ANW5R2DTXSID4066965RefChem:97918DTXCID5037022246-060-3EINECS 246-060-34-azido benzaldehyde

Show more names

4-azidebenzaldehyde

UNII-N5F6ANW5R2SCHEMBL13475881SCHEMBL17847569ZAA17336MFCD00221485AKOS040766042AS-92711DB-262911

Database identifiers

CAS: 24173-36-2
PubChem CID: 90385
DTXSID: DTXSID4066965
UNII: N5F6ANW5R2
EC Number: 246-060-3
Nikkaji: J60.291D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
color: Light Yellow to Yellow
Stability: Light Sensitive
InChI: InChI=1S/C7H5N3O/c8-10-9-7-3-1-6(5-11)2-4-7/h1-5H
InChIKey: SDJOUGYEUFYPLL-UHFFFAOYSA-N
SMILES: N(C1C=CC(C=O)=CC=1)=[N+]=[N-]
FDA UNII: 5 F6ANW5R2 · N5F6ANW5R2
EPA Substance Registry System: 4 · Benzaldehyde, 4-azido- (24173-36-2)
TSCA: TSCA listed