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3,5-Dihydroxybenzoic acid

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Name

3,5-Dihydroxybenzoic acid

EINECS 202-730-7
CAS No. 99-10-5 Density 1.559 g/cm3
PSA 77.76000 LogP 0.79600
Solubility Water: 84 g/L (20 °C) Melting Point 236-238 °C (dec.)(lit.)
Formula C7H6O4 Boiling Point 411.5 °C at 760 mmHg
Molecular Weight 154.122 Flash Point 216.8 °C
Transport Information N/A Appearance white to off-white crystalline powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 99-10-5 (3,5-Dihydroxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

a-Resorcylic acid (8CI);5-Carboxyresorcinol;NSC 22948;

Article Data 33

3,5-Dihydroxybenzoic acid Synthetic route

1132-21-4

3,5-dimethoxybenzoic acid

99-10-5

3,5-Dihydroxybenzoic acid

Conditions
ConditionsYield
With Cyclohexyl iodide In N,N-dimethyl-formamide for 3h; Heating;92%
501-36-0

(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol

A

99-10-5

3,5-Dihydroxybenzoic acid

B

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With dihydrogen peroxide In water; acetone at 40℃; for 1h; Reagent/catalyst;A 46%
B 73%
618-58-6

3,5-dibromobenzoic acid

99-10-5

3,5-Dihydroxybenzoic acid

Conditions
ConditionsYield
With calcium hydroxide; water; copper at 160 - 170℃;
16110-99-9

3,6-dichlorophthalic acid

99-10-5

3,5-Dihydroxybenzoic acid

Conditions
ConditionsYield
With copper at 310℃; bei der Kalischmelze;

3,5-Dihydroxybenzoic acid Chemical Properties

IUPAC Name: 3,5-Dihydroxybenzoic acid 
Following is the structure of Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5):
             
Molecular Formula: C7H6O4
Molecular Weight: 154.12 g/mol
EINECS: 202-730-7
Density: 1.559 g/cm3
Melting Point: 235 - 237 °C
Flash Point: 216.8 °C
Freely Rotating Bonds: 3  
Index of Refraction: 1.67
Molar Volume: 98.8 cm3 
Molar Refractivity: 36.94 cm3
Polarizability: 14.64 10-24 cm3
Surface Tension: 84.2 dyne/cm
Water Solubility: 84 g/L (20 °C)
Boiling Point: 411.5 °C at 760 mmHg 
Enthalpy of Vaporization: 70.01 kJ/mol 
Vapour Pressure: 1.64E-07 mmHg at 25 °C
Solubility: slightly soluble (soluble in hot alcohol, ether)
Appearance of Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5): white to off-white crystalline powder
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Building Blocks for Dendrimers; Functional Materials
Canonical SMILES: C1=C(C=C(C=C1O)O)C(=O)O
InChI: InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKey: UYEMGAFJOZZIFP-UHFFFAOYSA-N

3,5-Dihydroxybenzoic acid Uses

α-resorcylic acid(99-10-5) is used in organic synthesis and as intermediate  for the pharmaceutical.

3,5-Dihydroxybenzoic acid Toxicity Data With Reference

1.    

ivn-mus LD50:2000 mg/kg

    PMDCAY    Progress in Medical Chemistry. 5 (1967),59.

 Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

3,5-Dihydroxybenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

3,5-Dihydroxybenzoic acid Safety Profile

Moderately toxic by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes:  Xi.
Xi:  Irritant.
Risk Statements:  36/37/38.
36/37/38:  Irritating to eyes, respiratory system and skin.
Safety Statements:  26-36-37/39.
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36:  Wear suitable protective clothing.  
37/39:  Wear suitable gloves and eye/face protection.
WGK Germany: 1
RTECS: VH3708000
Hazard Note: Irritant
HS Code: 29182990

3,5-Dihydroxybenzoic acid Specification

 Benzoic acid,3,5-dihydroxy- , its cas register number 99-10-5. It also can be called 3,5-Dihydroxybenzoic acid ; Acide 3,5-dihydroxybenzoïque ; and 5-Carboxyresorcinol . Benzoic acid,3,5-dihydroxy- (CAS NO.99-10-5) should avoid the condition like incompatible materials, excess heat, exposure to moist air or water. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.

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