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622-37-7

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622-37-7 Structure

622-37-7 Structure
IdentificationBack Directory
[Name]

PHENYL AZIDE
[CAS]

622-37-7
[Synonyms]

Azidobenzene
PHENYL AZIDE
triazobenzene
Azido-benzene
phenylazoimide
Benzene, triazo-
diazobenzeneimide
Azidobenzene solution
Phenyl azide solution
Azidomethane solution - 0.5M solution intert-butyl methyl ether
Azidobenzene solution ~0.5 M in tert-butyl Methyl ether, >=95.0%
Azidobenzene solution ~0.5 M in 2-methyltetrahydrofuran, >=95.0% (HPLC)
[EINECS(EC#)]

210-730-3
[Molecular Formula]

C6H5N3
[MDL Number]

MFCD00040895
[MOL File]

622-37-7.mol
[Molecular Weight]

119.12
Chemical PropertiesBack Directory
[Melting point ]

-27.5°C
[Boiling point ]

212.39°C (rough estimate)
[density ]

1.0860
[vapor density ]

73.5 at 22-24 mm
[refractive index ]

1.5589
[Fp ]

-12°C
[storage temp. ]

-20°C
[form ]

liquid
[color ]

Pale-yellow oil
[BRN ]

742248
[InChI]

InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H
[InChIKey]

CTRLRINCMYICJO-UHFFFAOYSA-N
[SMILES]

C1(N=[N+]=[N-])=CC=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H302-H315-H318-H373
[Precautionary statements ]

P210-P280-P301+P312-P303+P361+P353-P305+P351+P338-P314
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-19-48/20/21/22-38
[Safety Statements ]

16
[RIDADR ]

UN 2398 3 / PGII
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 2
Skin Irrit. 2
STOT RE 2
Hazard InformationBack Directory
[Uses]

Phenylazide in greener solvent, 2-methyltetrahydrofuran (2-MeTHF).

2-Methyltetrahydrofuran (2-MeTHF): A Biomass-Derived Solvent with Broad Application in Organic Chemistry
[Synthesis Reference(s)]

Journal of the American Chemical Society, 89, p. 5284, 1967 DOI: 10.1021/ja00996a036
Tetrahedron Letters, 27, p. 4749, 1986 DOI: 10.1016/S0040-4039(00)85055-8
[General Description]

Azidobenzene solution can undergo click reaction with alkyne-functionalized oligomers to form O-ester-functionalized o-phenylenes, a group of aromatic foldamers with a good folding tendency in most solvents.
[Safety Profile]

Explodes when heated.Explosive or violent reactions with Lewis acids [e.g., aluminum chloride (explosive); sulfuric acid (violent)]. When heated to decomposition it emits toxic fumes of NOx.
Spectrum DetailBack Directory
[Spectrum Detail]

PHENYL AZIDE(622-37-7)MS
PHENYL AZIDE(622-37-7)1HNMR
PHENYL AZIDE(622-37-7)13CNMR
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