CAS No.30693-53-9,6-NITRO-1,3-BENZOXAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30693-53-9
Name:	6-NITRO-1,3-BENZOXAZOLE

Formula:	C₆H₅N₂O₅S.Na
Molecular Weight:	240.172
Synonyms:	2-Amino-5-nitrobenzenesulfonic acid sodium salt;4-Nitroaniline-2-sulfonic acidsodium salt;
EINECS:	250-299-9
Density:	0.737g/cm3 at 21℃
Melting Point:	150-152 °C
Boiling Point:	418.94℃
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	137.42000
LogP:	2.26630

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Specification

The Benzenesulfonic acid,2-amino-5-nitro-, sodium salt (1:1), with the CAS registry number 30693-53-9, is also known as Benzenesulfonic acid, 2-amino-5-nitro-, monosodium salt. Its EINECS registry number is 250-299-9. This chemical's molecular formula is C₆H₅N₂O₅S.Na and molecular weight is 240.17. Its systematic name is called sodium 2-amino-5-nitrobenzenesulfonate.

Physical properties of Benzenesulfonic acid,2-amino-5-nitro-, sodium salt (1:1): (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): -2.46; (3)ACD/LogD (pH 7.4): -2.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3.

When you are using this chemical, please be cautious about it as the following:
It 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)SMILES: [Na+].O=S([O-])(=O)c1cc(ccc1N)[N+]([O-])=O
(2)InChI: InChI=1/C6H6N2O5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1
(3)InChIKey: VTMRGLXTSDVXAE-REWHXWOFAK