Benzene,1-(azidomethyl)-3-methyl- supplier

Name
3-METHYLBENZYLAZIDE
EINECS
CAS No. 126799-82-4
Article Data43
CAS DataBase
Density
Solubility
Melting Point
Formula C₈H₉N₃
Boiling Point 63-65°C 0.1mm
Molecular Weight 147.18
Flash Point
Transport Information UN 1993
Appearance
Safety 15-17-33
Risk Codes 2-11
Molecular Structure
Hazard Symbols C, T
Synonyms m-Methylbenzylazide;
PSA 49.75000
LogP 2.25806

Benzene,1-(azidomethyl)-3-methyl- Specification

The Benzene, 1-(azidomethyl)-3-methyl-, with the CAS registry number of 126799-82-4, is also known as 3-Methylbenzyl azide. This chemical's molecular formula is C₈H₉N₃ and molecular weight is 147.18. What's more, its systematic name is called 1-(Azidomethyl)-3-methylbenzene.

Physical properties about Benzene, 1-(azidomethyl)-3-methyl- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.86; (6)ACD/BCF (pH 7.4): 80.86; (7)ACD/KOC (pH 5.5): 807.56; (8)ACD/KOC (pH 7.4): 807.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of explosion by shock, friction, fire or other sources of ignition. And this chemical is highly flammable. It should be avoided contact with combustible material. Besides, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1) SMILES: [N-]=[N+]=N\Cc1cccc(c1)C
(2) InChI: InChI=1/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3
(3) InChIKey: FCVHHYNXTVRWJE-UHFFFAOYAX

Product Name

3-METHYLBENZYLAZIDE

Benzene,1-(azidomethyl)-3-methyl- Specification

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