Benzyl azide

C₇H₇N₃CAS 622-79-7133.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇N₃
Molar mass: 133.15 g/mol
Exact mass: 133.0640 Da
Density: 1.0321 g/mL (at 25 °C)
Melting point: 157 °C (decomposes)
Boiling point: 82.5 °C (at 16.5 Torr)
logP: 2.50Crippen estimate
Polar surface area: 48.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H241 Heating may cause a fire or explosion90.7% of notifiers
H315 Causes skin irritation90.7% of notifiers
H319 Causes serious eye irritation90.7% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P234, P235, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P302+P352, P303+P361+P353, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P403, P403+P235, P410, P411, P420, P501

Identifiers

CAS number

622-79-7

SMILES

[N-]=[N+]=NCc1ccccc1

InChIKey

UDLLFLQFQMACJB-UHFFFAOYSA-N

InChI

InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

Benzene, (azidomethyl)-
Toluene, α-azido-
(Azidomethyl)benzene
α-Azidotoluene
NSC 26304

Work with Benzyl azide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Azidobenzene622-37-744 % similar Benzyl isocyanate3173-56-640 % similar Benzyl isothiocyanate622-78-640 % similar Bibenzyl103-29-739 % similar Dibenzyl sulfide538-74-938 % similar Diphenylmethane101-81-538 % similar 1,3-Diphenylpropane1081-75-038 % similar 4-Benzylthiosemicarbazide13431-41-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 5-Methylbenzotriazole136-85-6 2,5-Diaminobenzonitrile14346-13-5 3,4-Diaminobenzonitrile17626-40-3 6-Amino-2-methylnicotinonitrile183428-90-2 1H-Indazol-5-amine19335-11-6

Elsewhere

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