Benzeneacetic acid,2-(azidomethyl)- supplier

Name
[2-(azidomethyl)phenyl]acetic acid
EINECS 255-109-8
CAS No. 40851-64-7
Article Data9
CAS DataBase
Density
Solubility
Melting Point
Formula C₉H₉N₃O₂
Boiling Point
Molecular Weight 191.189
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Azidomethyl)phenylaceticacid;o-(Azidomethyl)phenylacetic acid;[2-(Azidomethyl)phenyl]acetic acid;benzeneacetic acid, 2-(azidomethyl)-;
PSA 87.05000
LogP 1.57676

Benzeneacetic acid,2-(azidomethyl)- Specification

The Benzeneacetic acid,2-(azidomethyl)-, with the CAS registry number 40851-64-7 and EINECS registry number 255-109-8, has the systematic name of [2-(azidomethyl)phenyl]acetic acid. And the molecular formula of this chemical is C₉H₉N₃O₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetic acid,2-(azidomethyl)- are as following: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.66 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccccc1C/N=[N+]=[N-]
(2)InChI: InChI=1/C9H9N3O2/c10-12-11-6-8-4-2-1-3-7(8)5-9(13)14/h1-4H,5-6H2,(H,13,14)
(3)InChIKey: KVHOGDSCPNRSLD-UHFFFAOYAD

Product Name

[2-(azidomethyl)phenyl]acetic acid

Benzeneacetic acid,2-(azidomethyl)- Specification

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