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5965-83-3

Basic Information
CAS No.: 5965-83-3
Name: 5-Sulfosalicylic acid dihydrate
Molecular Structure:
Molecular Structure of 5965-83-3 (5-Sulfosalicylic acid dihydrate)
Formula: C7H10O8S
Molecular Weight: 254.21
Synonyms: Benzoicacid, 2-hydroxy-5-sulfo-, dihydrate (9CI);Salicylic acid, 5-sulfo-, dihydrate(8CI);Benzoic acid,2-hydroxy-5-sulfo-, hydrate (1:2);
EINECS: 202-555-6
Density: 0.8 g/cm3
Melting Point: 105-110 °C(lit.)
Boiling Point: 705.7 °C at 760 mmHg
Flash Point: 380.6 °C
Solubility: 1 M at 20 °C in water
Appearance: white crystalline powder
Hazard Symbols: HarmfulXn, CorrosiveC, IrritantXi
Risk Codes: 22-36/37/38-34
Safety: 26-45-36/37/39-36
Transport Information:
PSA: 138.74000
LogP: 1.28930
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Chemistry

Molecule structure of 5-Sulfosalicylic acid dihydrate (CAS NO.5965-83-3):

IUPAC Name: 2-Hydroxy-5-sulfobenzoic acid dihydrate 
Molecular Weight: 254.2145 g/mol
Molecular Formula: C7H10O8
Melting Point: 105-110 °C(lit.)
Flash Point: 380.6 °C
Enthalpy of Vaporization: 108.42 kJ/mol
Boiling Point: 705.7 °C at 760 mmHg
Vapour Pressure: 6.63E-21 mmHg at 25 °C 
Storage Temp.: store at RT.
Water solubility: 1 M at 20 °C, clear, colorless
Sensitive: light sensitive 
Stability: stable, but light sensitive. incompatible with strong oxidizing agents.
H-Bond Donor: 5
H-Bond Acceptor: 8
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 254.009638
MonoIsotopic Mass: 254.009638
Topological Polar Surface Area: 114
Heavy Atom Count: 16
Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O
InChI: InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
InChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-N
EINECS: 202-555-6
Product Categories: Rubber Chemicals;Organic acids

Uses

 5-Sulfosalicylic acid dihydrate (CAS NO.5965-83-3) is used as biochemical reagents, analytical reagents and complex indicator.

Safety Profile

Hazard Codes: HarmfulXn, CorrosiveC, IrritantXi
Risk Statements: 22-36/37/38-34 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R34:Causes burns.
Safety Statements: 26-45-36/37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: VO6500000
F: 8

Specification

 5-Sulfosalicylic acid dihydrate (CAS NO.5965-83-3) is also named as 2-Hydroxy-5-sulfobenzoic acid 3-carboxy-4-
hydroxybenzenesulfonic acid ; 2-Hydroxybenzoic-5-sulfonic acid ; 5-Sulfosalicylic acid ; Salicylsulfonic acid ; Sulfosalicylic acid ; UNII-L8XED79U3U ; Benzoic acid, 2-hydroxy-5-sulfo-, dihydrate ; Salicylic acid, 5-sulfo-, dihydrate . 5-Sulfosalicylic acid dihydrate (CAS NO.5965-83-3) is white crystalline powder.