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CAS No.: | 126799-82-4 |
---|---|
Name: | 3-METHYLBENZYLAZIDE |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C8H9N3 |
Molecular Weight: | 147.18 |
Synonyms: | m-Methylbenzylazide; |
Boiling Point: | 63-65°C 0.1mm |
Hazard Symbols: | C, T |
Risk Codes: | 2-11 |
Safety: | 15-17-33 |
Transport Information: | UN 1993 |
PSA: | 49.75000 |
LogP: | 2.25806 |
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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