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92-70-6

Basic Information
CAS No.: 92-70-6
Name: 3-Hydroxy-2-naphthoic acid
Article Data: 74
Molecular Structure:
Molecular Structure of 92-70-6 (3-Hydroxy-2-naphthoic acid)
Formula: C11H8O3
Molecular Weight: 188.183
Synonyms: 2-Naphthoicacid, 3-hydroxy- (8CI);2-Hydroxy-3-carboxynaphthalene;2-Hydroxy-3-naphthalenecarboxylic acid;2-Hydroxy-3-naphthoic acid;2-Hydroxyl-3-naphthoic acid;2-Naphthol-3-carboxylic acid;3-Carboxy-2-naphthol;3-Hydroxy-2-naphthalenecarboxylic acid;3-Hydroxy-2-naphthoic acid;3-Hydroxy-b-naphthoic acid;3-Naphthol-2-carboxylic acid;BON;BON acid;BONA;C.I. Developer 20;Developer BON;Miketazol Developer ONS;NSC3719;Naphthol B.O.N.;b-Hydroxy-3-naphthoic acid;b-Hydroxynaphthoic acid;b-Oxynaphthoic acid;
EINECS: 202-180-8
Density: 1.399 g/cm3
Melting Point: 218-221 °C(lit.)
Boiling Point: 367.7 °C at 760 mmHg
Flash Point: 190.4 °C
Solubility: PRACTICALLY INSOLUBLE
Appearance: yellow to beige-brown fine crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36-36/37/38
Safety: 26-37/39
PSA: 57.53000
LogP: 2.24360
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The BON acid , with appearance of yellow to beige-brown fine crystalline powder, is also known as 2-Hydroxy-3-naphthoic acid . It belongs to the categories of Intermediates of Dyes and Pigments; Intermediates; Naphthalene derivatives; Organics. Its cas registry number is 92-70-6. Besides, it has other registry numbers including 12235-60-8 and 12235-61-9. Its systematic name and IUPAC name are called the same which is 3-hydroxynaphthalene-2-carboxylic acid . Its superlist names are 2-Hydroxy-3-naphthoic acid and 2-Naphthoic acid, 3-hydroxy- . This chemical is soluble in ether and alcohol.

Physical properties about this chemical are: (1) ACD/LogP: 3.29 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.42 ; (4) ACD/LogD (pH 7.4): 0.15 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1.96 ; (8) ACD/KOC (pH 7.4): 1.05 ; (9) #H bond acceptors: 3 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 2 ; (12) Polar Surface Area: 35.53 Å2 ; (13) Index of Refraction: 1.716 ; (14) Molar Refractivity: 52.9 cm3 ; (15) Molar Volume: 134.5 cm3 ; (16) Surface Tension: 69.4 dyne/cm ; (17) Density: 1.399 g/cm3 ; (18) Flash Point: 190.4 °C ; (19) Enthalpy of Vaporization: 64.81 kJ/mol ; (20) Boiling Point: 367.7 °C at 760 mmHg ; (21) Vapour Pressure: 4.68E-06 mmHg at 25°C.

Uses of BON acid : (1) this chemical is mainly used in making color phenol AS and other each kind of color phenol intermediate and it is also made the medicine and organic pigment's intermediate. (2) This chemical is used to prepare other chemicals in organic synthesis. Here is an example, it is used to prepare 3-(2-carboxymethyl-phenyl)-propionic acid .


This reaction uses the reagents Na, pentanol with the yield of 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. It is pison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition, it emits acrid smoke and irritating vapors.Wear suitable gloves and eye/face protection when use it. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O)c2cc1c(cccc1)cc2O;
(2) InChI:InChI=1/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14) ;
(3) InChIKey:ALKYHXVLJMQRLQ-UHFFFAOYAT

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. OTS0533574,
guinea pig LDLo oral 783mg/kg (783mg/kg)   National Technical Information Service. Vol. OTS0533574,
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0533574,
mouse LD50 oral 800mg/kg (800mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 663, 1986.
rat LD50 oral 832mg/kg (832mg/kg)   National Technical Information Service. Vol. OTS0533749,
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. OTS0533574,
rat LDLo subcutaneous 376mg/kg (376mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 176, Pg. 193, 1968.