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2425-85-6

Basic Information
CAS No.: 2425-85-6
Name: 2-Naphthalenol,1-[2-(4-methyl-2-nitrophenyl)diazenyl]-
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 2425-85-6 (2-Naphthalenol,1-[2-(4-methyl-2-nitrophenyl)diazenyl]-)
Formula: C17H13N3O3
Molecular Weight: 307.309
Synonyms: 2-Naphthalenol,1-[(4-methyl-2-nitrophenyl)azo]- (9CI);C.I. Pigment Red 3 (7CI,8CI);Toluidinered (6CI);1-(o-Nitro-p-tolylazo)-2-naphthol;2-Nitro-p-toluidine-2-naphthol;ADC Toluidine Red B;Atlasol Spirit Red 3;C.I. 12120;C.P.Toluidine Toner A 2990;C.P. Toluidine TonerDeep X 1865;Carnelio Helio Red;ChromatexRed J;Eljon Fast Scarlet RN;Enialit Light Red RL;Fast Red A (pigment);Fast Red AB;Fast Red JE;Fastona Red B;Fastona ScarletYS;Graphtol Red A 4RL;Hansa Red B;HansaScarlet RN;Hansa Scarlet RNC;Helio Fast Red RL;Helio FastRed RN;Helio Red RL;Helio Red Toner;Irgalite Fast Red P 4R;Irgalite Red RNPX;Isol Fast Red RN 2B;Isol Fast Red RNB;Isol Fast Red RNG;Isol Toluidine Red RN 2B;Isol Toluidine Red RN 2G;Japan Red No. 221;Kromon Helio FastRed;Lake Red 4RII;Lithol Fast Scarlet RN;Lutetia Fast Red 3R;Lutetia Fast Scarlet RJN;Monolite Fast Scarlet GSA;Monolite Fast Scarlet RBA;Monolite Fast Scarlet RNV;NSC 45193;Oralith Red P 4R;Permanent Red 4R;
EINECS: 219-372-2
Density: 1.32 g/cm3
Melting Point: 270-272 °C(lit.)
Boiling Point: 543.5 °C at 760 mmHg
Flash Point: 282.5 °C
Solubility: Insoluble in water
Appearance: red to orange powder
Hazard Symbols: IrritantXi, DangerousN
Risk Codes: 41-50/53
Safety: 26-39-60-61
Transport Information: UN 3077 9/PG 3
PSA: 90.77000
LogP: 5.70060
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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 259.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 259.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 259.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in NTP Carcinogenesis Studies (feed); Some Evidence: rat, mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-407 ,1992. . Reported in EPA TSCA Inventory.

Specification

The IUPAC name of 1-((4-Methyl-2-nitrophenyl)azo)-2-naphthalenol is (1Z)-1-[(4-methyl-2-nitrophenyl)hydrazinylidene]naphthalen-2-one. With the CAS registry number 2425-85-6, it is also named as C.I. Pigment Red 3; 2-Naphthalenol, 1-((4-methyl-2-nitrophenyl)azo)-. The classification codes are Mutation data and Tumor data. And the other registry numbers are 12238-48-1, 12240-01-6, 12240-02-7, 39310-30-0 and 78690-69-4. This chemical is red to orange powder which is insoluble in water and sensitive to moisture. In addition, it may form toxic gases with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5610.04; (6)ACD/BCF (pH 7.4): 5610.04; (7)ACD/KOC (pH 5.5): 16791.98; (8)ACD/KOC (pH 7.4): 16791.96; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 85.67 cm3; (14)Molar Volume: 231.9 cm3; (15)Polarizability: 33.96×10-24 cm3; (16)Surface Tension: 54.2 dyne/cm; (17)Enthalpy of Vaporization: 85.26 kJ/mol; (18)Vapour Pressure: 2.01E-12 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 13; (21)Exact Mass: 307.095691; (22)MonoIsotopic Mass: 307.095691; (23)Topological Polar Surface Area: 87.3; (24)Heavy Atom Count: 23.

Uses of 1-((4-Methyl-2-nitrophenyl)azo)-2-naphthalenol: It can be used to color inks, ink pencil, crayon, watercolor and oil paints and rubber products. And it is also applies to color the wax cloth, paint, plastics, natural lacquer, handicrafts and cosmetics.

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection. This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets. 

People can use the following data to convert to the molecule structure.
1. SMILES: [O-][N+](=O)c3cc(C)ccc3/N=N/c1c2ccccc2ccc1O;
2. InChI: InChI=1/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+.