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CAS No.: | 92-77-3 |
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Name: | Naphthol AS |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C17H13NO2 |
Molecular Weight: | 263.296 |
Synonyms: | 2-Naphthanilide,3-hydroxy- (8CI);2-Hydroxy-3-(phenylcarbamoyl)naphthalene;2-Hydroxy-3-naphthalenecarboxanilide;2-Hydroxy-3-naphthanilide;2-Hydroxy-3-naphthoic acid anilide;2-Hydroxy-3-naphthoic anilide;2-Hydroxy-N-phenyl-3-naphthalenecarboxamide;2-Naphthol-3-carboxylic acidN-phenylamide;3-(N-Phenylcarbamoyl)-2-naphthol;3-Hydroxy-2-naphthalenecarboxanilide;3-Hydroxy-2-naphthanilide;3-Hydroxy-2-naphthoic acid anilide;3-Hydroxy-N-phenyl-2-naphthalenecarboxamide;3-Hydroxy-N-phenyl-2-naphthamide;3-Hydroxyl-2-naphthanilide;Acco Naphthol AS;Acna Naphthol C;Amanil NaphtholAS;Anthonaphthol AS;Aquafine Red E 9;Azoic Coupling Component 2;Brenthol AS;C.I. 37505;C.I. Azoic Coupling Component 2;Celcot RF;Cibanaphthol RF;Conazoic CouplingB; |
EINECS: | 202-188-1 |
Density: | 1.311 g/cm3 |
Melting Point: | 246-248 °C(lit.) |
Boiling Point: | 391.774 °C at 760 mmHg |
Flash Point: | 190.738 °C |
Solubility: | Insoluble in water and sodium carbonate solution |
Appearance: | beige powder |
Hazard Symbols: | Xi,N |
Risk Codes: | 43-51/53 |
Safety: | 36/37-61 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 49.33000 |
LogP: | 3.87070 |
The Naphthol AS, with the CAS registry number 92-77-3, is also known as 3-Hydroxy-2-naphthanilide. It belongs to the product categories of Intermediates of Dyes and Pigments; Organics. Its EINECS number is 202-188-1. This chemical's molecular formula is C17H13NO2 and molecular weight is 263.29. What's more, its systematic name is 3-Hydroxy-N-phenyl-2-naphthamide. This chemical should be sealed and stored in a cool and dry place. It is azo dye coupling component implicated in occupational pigmented contact dermatitis.
Physical properties of Naphthol AS are: (1)ACD/LogP: 4.404; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.40; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 1285.10; (6)ACD/BCF (pH 7.4): 539.64; (7)ACD/KOC (pH 5.5): 5818.02; (8)ACD/KOC (pH 7.4): 2443.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 80.553 cm3; (15)Molar Volume: 200.85 cm3; (16)Polarizability: 31.934×10-24cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.311 g/cm3; (19)Flash Point: 190.738 °C; (20)Enthalpy of Vaporization: 66.648 kJ/mol; (21)Boiling Point: 391.774 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by aniline and 3-hydroxy-naphthalene-2-carboxylic acid at the temperature of 184 °C. This reaction will need reagent PCl3 with the reaction time of 2 hours. The yield is about 91%.
Uses of Naphthol AS: it can be used to produce 3-hydroxy-4-phenylazo-[2]naphthoic acid anilide at the temperature of 10 °C. It will need reagent 20percent aq. NaOH with the reaction time of 30 hours. The yield is about 94.9%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitisation by skin contact and cause harm to the unborn child. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc1c(cccc1)cc2O)Nc3ccccc3
(2)Std. InChI: InChI=1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20)
(3)Std. InChIKey: JFGQHAHJWJBOPD-UHFFFAOYSA-N
The toxicity data is as follows: \
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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rat | LD | oral | > 5gm/kg (5000mg/kg) | Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. 104, Pg. 51, 1986. |