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1,4-Benzenediamine,N1,N4-di-2-naphthalenyl- (93-46-9)

Identification
Name:1,4-Benzenediamine,N1,N4-di-2-naphthalenyl-
Synonyms:1,4-Benzenediamine,N,N'-di-2-naphthalenyl- (9CI);p-Phenylenediamine, N,N'-di-2-naphthyl-(6CI,8CI);1,4-Bis(2-naphthylamino)benzene;ASM-DNT;Aceto DIPP;AgeRite W;AgeRite White;Anchor DNPD;Antage F;Antigene F;Antioxidant 123;AntioxidantDNP;DNPD;Diafen NN;N,N'-Bis(2-naphthyl)-1,4-phenylenediamine;N,N'-Bis(2-naphthyl)-p-phenylenediamine;N,N'-Bis(b-naphthyl)-p-phenylenediamine;N,N'-Di(2-naphthyl)-p-phenylenediamine;N,N'-Di-2-naphthyl-1,4-benzenediamine;N,N'-Di-2-naphthyl-1,4-phenylenediamine;N,N'-Di-b-naphthyl-p-phenylenediamine;N,N'-di-2-Naphthyl-p-phenyldiamine;N,N'-p-Phenylenebis[2-naphthylamine];NSC 3410;Nocrac White;Nonox CI;Santowhite CI;Tisperse MB 2X;s-Di-b-Naphthyl-p-phenylenediamine;
CAS:93-46-9
EINECS: 202-249-2
Molecular Formula: C26H20N2
Molecular Weight: 360.48
InChI: InChI=1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H
Molecular Structure: (C26H20N2) 1,4-Benzenediamine,N,N'-di-2-naphthalenyl- (9CI);p-Phenylenediamine, N,N'-di-2-naphthyl-(6CI,8CI);1,...
Properties
Melting Point: 225-229 ºC
Density:1.25
Stability:No data.
Water Solubility:<0.1 g/100 mL at 19 ºC
Solubility:<0.1 g/100 mL at 19 ºC in water
Appearance:Light grey white powder
Specification:

he 2-Naphthyl-p-phenylenediamine with the cas number 93-46-9, is also called 1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine named by IUPAC. There are other names such as (1)1,4-Benzenediamine, N,N'-di-2-naphthalenyl- ; (2)1,4-Benzenediamine, N1,N4-di-2-naphthalenyl- ; (3)N,N'-Di-2-naphthalenyl-1,4-benzenediamine ; (4)N,N'-Di-2-naphthyl-p-phenylenediamine ; (5)p-Phenylenediamine, N,N'-(di-2-naphthyl)- and so on.

Physical properties about this chemical are: (1)ACD/LogP: 5.78 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 5.78 ; (4)ACD/LogD (pH 7.4): 5.78 ; (5)ACD/BCF (pH 5.5): 14534.28 ; (6)ACD/BCF (pH 7.4): 14590.75 ; (7)ACD/KOC (pH 5.5): 33154.66 ; (8)ACD/KOC (pH 7.4): 33283.48 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 6.48 Å2 ; (13)Index of Refraction: 1.772 ; (14)Molar Refractivity: 120.68 cm3 ; (15)Molar Volume: 289.7 cm3 ; (16)Polarizability: 47.84 ×10-24cm3 ; (17)Surface Tension: 58.5 dyne/cm ; (18)Density: 1.244 g/cm3 ; (19)Flash Point: 399 °C ; (20)Enthalpy of Vaporization: 90.35 kJ/mol ; (21)Boiling Point: 608.1 °C at 760 mmHg ; (22)Vapour Pressure: 9.87E-15 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following: It is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. Most important of all, do not breathe dust. Hence, before you are using it, wear suitable protective clothing, gloves and eye/face protection.

Uses of 2-Naphthyl-p-phenylenediamine: N,N'-Di-2-naphthyl-p-phenylenediamine (93-46-9) is widely used in copper, manganese and other harmful metals inhibit and heat aging antioxidants right thiazole accelerator activation significantly. And it is also applied to cable, flexible plastic and other industrial rubber products and latex products in the brown or dark.

Preparation of 2-Naphthyl-p-phenylenediamine: N,N'-Di-2-naphthyl-p-phenylenediamine neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

You can still convert the following datas into molecular structure :
(1) SMILES: c5c(Nc1ccc(cc1)Nc3cc2ccccc2cc3)cc4ccccc4c5
(2) InChI:InChI=1/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H

Toxic information of 2-Naphthyl-p-phenylenediamine can be showed as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 4500mg/kg (4500mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 311, 1952.
mouse LD50 oral 5gm/kg (5000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(2), Pg. 25, 1966.
rat LD50 oral 4500mg/kg (4500mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.

Report:

Reported in EPA TSCA Inventory.

Storage Temperature: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Safety Data