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| CAS No.: | 5965-83-3 |
|---|---|
| Name: | 5-Sulfosalicylic acid dihydrate |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn,  C,  Xi
|
| Risk Codes: | 22-36/37/38-34 |
| Safety: | 26-45-36/37/39-36 |
| 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: C7H10O8S
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: 
Xn, 
C, 
Xi
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.