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CAS No.: | 92-70-6 |
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Name: | 3-Hydroxy-2-naphthoic acid |
Article Data: | 74 |
Molecular Structure: | |
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: | Xn, Xi |
Risk Codes: | 22-36-36/37/38 |
Safety: | 26-37/39 |
PSA: | 57.53000 |
LogP: | 2.24360 |
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Reported in EPA TSCA Inventory.
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. |