CAS 93-46-9|N,N'-Di(2-naphthyl)-1,4-benzenediamine

Introduction:Basic information about CAS 93-46-9|N,N'-Di(2-naphthyl)-1,4-benzenediamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameN,N'-Di(2-naphthyl)-1,4-benzenediamine
CAS Number93-46-9Molecular Weight360.45
Density1.2±0.1 g/cm3Boiling Point608.1±35.0 °C at 760 mmHg
Molecular FormulaC26H20N2Melting Point225-229°C
MSDS/Flash Point399.0±17.7 °C

Names

NameN,N'-Di-2-naphthyl-1,4-phenylenediamine
SynonymMore Synonyms

N,N'-Di(2-naphthyl)-1,4-benzenediamine BiologicalActivity

DescriptionDiafen NN is an antioxidant. Diafen NN induces leukoses and local sarcomas in mice[1][2]..
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>Others
In VivoDiafen NN (40 mg/小鼠;皮下注射;每周一次,贯穿一生) 诱导小鼠白血病和局部肉瘤[1]。
References

[1]. Pylev LN, et al. Carcinogenicity of diafen NN. Voprosy Onkologii (1977), 23(12), 75-7.

[2]. Mukhutdinov E A, et al. Quantum-Chemical Modelling and Prediction of the Structure and Functional Activity of Free Radicals and Biradicals of N-Phenyl-N′-Isopropyl-P-Phenylenediamine and N, N′-Diphenyl-P-Phenylenediamine[J]. International Polymer Science and Technology, 2009, 36(7): 13-17.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point608.1±35.0 °C at 760 mmHg
Melting Point225-229°C
Molecular FormulaC26H20N2
Molecular Weight360.45
Flash Point399.0±17.7 °C
Exact Mass360.162659
PSA24.06000
LogP5.78
Vapour Pressure0.0±1.7 mmHg at 25°C
Index of Refraction1.772
InChIKeyVETPHHXZEJAYOB-UHFFFAOYSA-N
SMILESc1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1
Water Solubility<0.1 g/100 mL at 19 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ST2100000
CHEMICAL NAME :
p-Phenylenediamine, N,N'-(di-2-naphthyl)-
CAS REGISTRY NUMBER :
93-46-9
BEILSTEIN REFERENCE NO. :
2224419
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C26-H20-N2
MOLECULAR WEIGHT :
360.48
WISWESSER LINE NOTATION :
L66J CMR DM- CL66J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - acute pulmonary edema Liver - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
4500 mg/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
31 gm/kg/78W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
500 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,175,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84527 No. of Facilities: 58 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 1677 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84527 No. of Facilities: 216 (estimated) No. of Industries: 5 No. of Occupations: 10 No. of Employees: 9999 (estimated) No. of Female Employees: 2908 (estimated)

Safety Information

Hazard CodesXn
Risk PhrasesR20/21/22
Safety PhrasesS22-S36/37/39
RTECSST2100000
HS Code2921590090

Customs

HS Code2921590090
Summary2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

1,4-Benzenediamine, N,N-di-2-naphthalenyl-
N,N'-Di-naphthalen-2-yl-benzene-1,4-diamine
MFCD00053487
EINECS 202-249-2
N,N'-Di(2-naphthyl)benzene-1,4-diamine
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
N,N'-Di(2-naphthyl)-1,4-benzenediamine
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