CAS No.123333-68-6,2-SULFOBENZOIC ACID HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123333-68-6
Name:	2-SULFOBENZOIC ACID HYDRATE

Formula:	C₇H₈O₆S
Molecular Weight:	256.233
Synonyms:	Benzoicacid, 2-sulfo-, hydrate (9CI);2-Sulfobenzoic acid hydrate;
EINECS:	211-176-5
Melting Point:	78-80 °C
Boiling Point:	568.6 °C at 760 mmHg
Flash Point:	297.7 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-28-36/37/39-45
PSA:	109.28000
LogP:	1.64800

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Specification

The Benzoic acid, 2-sulfo-,hydrate is an organic compound with the formula C₇H₈O₆S. The systematic name of this chemical is Benzoic acid, 2-sulfo-, hydrate. With the CAS registry number 123333-68-6, it is also named as 2-Sulfobenzoic acid hydrate. Besides, it should be stored in a cool, sealed, dry and well-ventilated place.

The physical properties of Benzoic acid, 2-sulfo-,hydrate are: (1)#H bond acceptors: 6; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 100.05 Å²; (5)Flash Point: 297.7 °C; (6)Enthalpy of Vaporization: 89.76 kJ/mol; (7)Boiling Point: 568.6 °C at 760 mmHg; (8)Vapour Pressure: 9.14E-14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, take off immediately all contaminated clothing and wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O.O=S(O)(=O)c1ccccc1C(O)=O
(2)Std. InChI: InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2
(3)Std. InChIKey: HVJWSZOEEIYKSS-UHFFFAOYSA-N