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Cas Database |
| Name |
4-Azidobenzoic acid |
EINECS | 229-198-9 |
| CAS No. | 6427-66-3 | Density | 1.352g/mLat 25°C(lit.) |
| PSA | 87.05000 | LogP | 1.77936 |
| Solubility | N/A | Melting Point |
180 °C(Solv: water (7732-18-5)) |
| Formula | C7H5N3O2 | Boiling Point | 73-75°C0.35mm Hg(lit.) |
| Molecular Weight | 163.136 | Flash Point | 195°F |
| Transport Information | N/A | Appearance | N/A |
| Safety | 15-26-36/37/39 | Risk Codes | 5-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | F,Xn |
| Synonyms |
Benzoicacid, p-azido- (6CI,7CI,8CI);4-Azidobenzoic acid;4-Carboxyphenyl azide;NSC80932;p-Azidobenzoic acid; |
Article Data | 94 |
4-Azidobenzoic acid Specification
The Benzoic acid, 4-azido-, with the CAS registry number 6427-66-3, is also known as p-Azidobenzoic acid. Its EINECS registry number is 229-198-9. This chemical's molecular formula is C7H5N3O2 and molecular weight is 163.1335. Its IUPAC name is called 4-azidobenzoic acid.
Physical properties of Benzoic acid, 4-azido-: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): -0.39; (4)ACD/BCF (pH 5.5): 1.88; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)O)N=[N+]=[N-]
(2)InChI: InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
(3)InChIKey: PQXPAFTXDVNANI-UHFFFAOYSA-N
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