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17202-49-2

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Basic Information
CAS No.: 17202-49-2
Name: 4-CARBOXYBENZENESULFONYL AZIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 17202-49-2 (4-CARBOXYBENZENESULFONYL AZIDE)
Formula: C7H5N3O4S
Molecular Weight: 227.2
Synonyms: Benzoicacid, p-(azidosulfonyl)- (8CI);4-(Azidosulfonyl)benzoic acid;4-Carboxybenzenesulfonyl azide;p-(Azidosulfonyl)benzoic acid;p-Carboxybenzenesulfonyl azide;
Density: 1.6556 (rough estimate)
Melting Point: 180 °C (dec.)(lit.)
Appearance: off-white to beige powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 129.57000
LogP: 1.91736
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Specification

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