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Name |
Benzoic acid,4-(azidosulfonyl)- |
EINECS | N/A |
CAS No. | 17202-49-2 | Density | 1.6556 (rough estimate) |
PSA | 129.57000 | LogP | 1.91736 |
Solubility | N/A | Melting Point |
180 °C (dec.)(lit.) |
Formula | C7H5N3O4S | Boiling Point | N/A |
Molecular Weight | 227.2 | Flash Point | N/A |
Transport Information | N/A | Appearance | off-white to beige powder |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoicacid, p-(azidosulfonyl)- (8CI);4-(Azidosulfonyl)benzoic acid;4-Carboxybenzenesulfonyl azide;p-(Azidosulfonyl)benzoic acid;p-Carboxybenzenesulfonyl azide; |
Article Data | 4 |
The Benzoic acid,4-(azidosulfonyl)-, with CAS registry number 17202-49-2, has the systematic name of 1-[(4-carboxyphenyl)sulfonyl]triaz-2-yn-2-ium-1-ide. This chemical is a kind of off-white to beige powder. And it should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C7H5N3O4S.
Physical properties of Benzoic acid,4-(azidosulfonyl)-: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 96.97 Å2.
When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,4-(azidosulfonyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)([N-][N+]#N)c1ccc(C(=O)O)cc1
(2)InChI: InChI=1/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
(3)InChIKey: OWULJVXJAZBQLL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
(5)Std. InChIKey: OWULJVXJAZBQLL-UHFFFAOYSA-N