4-Azidosalicylic acid supplier

Name
4-Azidosalicylic acid
EINECS
CAS No. 66761-27-1
Article Data13
CAS DataBase
Density
Solubility
Melting Point 190-193°C (dec.)
Formula C₇H₅N₃O₃
Boiling Point
Molecular Weight 179.135
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Azido-5-hydroxy-benzoic acid;Benzoic acid, 4-azido-2-hydroxy-;
PSA 107.28000
LogP 1.48496

4-Azidosalicylic acid Specification

The 4-Azidosalicylic acid, with the CAS registry number 66761-27-1, is also known as Benzoic acid, 4-azido-2-hydroxy-. This chemical's molecular formula is C₇H₅N₃O₃ and molecular weight is 179.1329. What's more, its IUPAC name and systematic name are the same which is called 3-Azido-5-hydroxybenzoic acid.

Physical properties about 4-Azidosalicylic acid: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(O)cc(\N=[N+]=[N-])c1
(2) InChI: InChI=1/C7H5N3O3/c8-10-9-5-1-4(7(12)13)2-6(11)3-5/h1-3,11H,(H,12,13)
(3) InChIKey: IMKRSVNNWZYMKI-UHFFFAOYAG

Product Name

4-Azidosalicylic acid

4-Azidosalicylic acid Specification

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