N,N-Dimethyl-4-(m-tolylazo)anilin
N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
Grundinformationen
- CAS
1081821-70-6- Standard-SMILES
Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1- InChIKey
LVTFSVIRYMXRSR-UHFFFAOYSA-N- Summenformel
- C15H17N3
- Durchschnittliche Molmasse
- 239,32 g/mol
- Monoisotopische Masse
- 239,14224756
Überblick
3-methyl-4'-dimethylaminoazobenzene is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. It has a role as a carcinogenic agent. It is a member of azobenzenes and a tertiary amino compound.
Namen und Bezeichner
- Bevorzugter Name
- N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
- IUPAC
- N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline
- Lokaler Name
- N,N-Dimethyl-4-(m-tolylazo)anilin
- Englischer Name
- 3'-Methyl-4-dimethylaminoazobenzene
- Summenformel
- C15H17N3
- Molmasse
- 239.32
Namen und Synonyme
55-80-1N,N-Dimethyl-4-(2-(3-methylphenyl)diazenyl)benzenamineN,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamineRefChem:2019223'-Methyl-4-dimethylaminoazobenzeneMDAB3'-Mdab4-Dimethylamino-3'-methylazobenzene3'-Me-Dab3'-Methylbuttergelb3'-Methyl-4-(dimethylamino)azobenzeneN,N-Dimethyl-p-(m-tolylazo)aniline
Weitere Namen anzeigen
3’-mdab3’-me-dab3'Methyl-dab3’-methyl-dab3’-methylbuttergelbmethyldimethylaminoazobenzene
4-(Dimethylamino)-3'-methylazobenzenem'-Methyl-p-dimethylaminoazobenzene3'-Methyl-dabN,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline3'-Methyl-4-dimethylaminoazobenzen3',N,N-Trimethyl-4-aminoazobenzene3'-Methyldimethylaminoazobenzol4-(N,N-Dimethylamino)-3'-methylazobenzene
Datenbank-Bezeichner
- CAS
1081821-70-6、55-80-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 28 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 267
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Azo Dyes
Solubility
In water, 0.4 mg/l @ 25 °C
0.4 [ug/mL] (The mean of the results at pH 7.4)
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Vapor Pressure0.0000352 [mmHg]
Physical DescriptionPowder; [MSDSonline]
Collision Cross Section161.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8020838]
Physikochemische Eigenschaften
- Schmelzpunkt
- 120 °C · 120°C
- Siedepunkt
- 371.98 °C · 371.98°C (rough estimate)
- Dichte
- 0.9908 · 0.9908 (rough estimate)
- Brechungsindex
- 1.5 · 1.5000 (estimate)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazards SummaryIn chronic high-dose feeding studies of rats and mice: increased liver tumors including carcinomas; [HSDB] Oral LD50 (mouse) = 17,700 mg/kg; [HSDB]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheit und Schutzausrüstung
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxikologische Informationen
Interactions
PHENOBARBITAL ENHANCED GROWTH OF ENZYME-ALTERED ISLANDS INDUCED BY 3'-METHYL-4-(DIMETHYLAMINO)AZOBENZENE IN RATS.
INHIBITION OF CHEMICAL CARCINOGENESIS: EARLY INCR IN TISSUE UPTAKE & MACROMOLECULAR BINDING OF TRITIUM-LABELED METABOLITES OF HEPATOCARCINOGEN, 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE, IN RAT LIVER IN VIVO IN PRESENCE OF TUMOR INHIBITOR, CHLORAMPHENICOL.
EFFECT OF PHENOBARBITAL ADMIN ON HEPATOCYTES CONSTITUTING THE HYPERPLASTIC NODULES INDUCED IN RAT LIVER BY 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE. CYTOCHROME P-450 LOW IN PRECANCEROUS RAT LIVER WAS INDUCTIBLE BY PHENOBARBITAL TREATMENT.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
CELL-FREE SYSTEM CATALYZES COVALENT BINDING OF (3)H-3'-METHYL-4-DIMETHYLAMINOAZOBENZENE TO YEAST RNA & ENDOGENOUS TISSUE PROTEIN. SUGGEST 2 ELECTROPHILIC METABOLITES.
METABOLITES INVESTIGATED BY MEANS OF TRACER TECHNIQUE WERE: 3-AMINOBENZOIC ACID, 3-AMINO-6-HYDROXYTOLUENE & THEIR N-ACETYLATED PRODUCTS; N-DEMETHYLATED, ARYL HYDROXYLATED & AZO REDUCED PRODUCTS.
Absorption, Distribution and ExcretionMEABOLITES WERE FOUND BOTH IN THE URINE AND IN THE BILE.
Verwendung und Herstellung
UsesNot commercially produced in the US; [HSDB]
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
General Manufacturing InformationBenzenamine, N,N-dimethyl-4-[2-(3-methylphenyl)diazenyl]-: INACTIVE
Anbieter19 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific
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