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Pigment Red 3

  • Name Pigment Red 3
  • EINECS219-372-2
  • CAS No. 2425-85-6
  • Density1.32 g/cm3
  • PSA90.77000
  • LogP5.70060
  • SolubilityInsoluble in water
  • Melting Point270-272 °C(lit.)
  • FormulaC17H13N3O3
  • Boiling Point543.5 °C at 760 mmHg
  • Molecular Weight307.309
  • Flash Point282.5 °C
  • Transport InformationUN 3077 9/PG 3
  • Appearancered to orange powder
  • Safety26-39-60-61
  • Risk Codes41-50/53
  • Molecular Structure
    Molecular Structure of 2425-85-6 (Pigment Red 3)
  • Hazard SymbolsIrritantXi, DangerousN
  • SynonymsIrritantXi, DangerousN
  • Article Data9

Pigment Red 3 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.

Pigment Red 3 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+.

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