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| CAS No.: | 55-80-1 |
|---|---|
| Name: | 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE |
| Molecular Structure: | |
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| Formula: | C15H17 N3 |
| Molecular Weight: | 239.32 |
| Synonyms: | Aniline,N,N-dimethyl-p-(m-tolylazo)- (8CI); Benzenamine,N,N-dimethyl-4-[(3-methylphenyl)azo]- (9CI); 3-Methyl-4'-(dimethylamino)azobenzene;3'-MDAB; 3'-Methyl-4-(dimethylamino)azobenzene;3'-Methyl-N,N-dimethyl-4-aminoazobenzene;4-(Dimethylamino)-3'-methylazobenzene; MDAB;N,N,3'-Trimethyl-4-aminoazobenzene; N,N-Dimethyl-4-(3-methylphenylazo)aniline;N,N-Dimethyl-p-(m-tolylazo)aniline; NSC 59783 |
| Density: | 0.9908 (rough estimate) |
| Melting Point: | 120°C |
| Boiling Point: | 371.98°C (rough estimate) |
| Flash Point: | 190.2oC |
| Risk Codes: | R40 |
| Safety: | Moderately toxic by ingestion. An experimental teratogen. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 27.96000 |
| LogP: | 4.47640 |
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Chemistry
Product Name: N,N-Dimethyl-p-(m-tolylazo)aniline (CAS NO.55-80-1)
Molecular Formula: C15H17N3
Molecular Weight: 239.32g/mol
Mol File: 55-80-1.mol
Einecs: 200-243-4
Melting Point: 120°C
Boiling point: 390.9 °C at 760 mmHg
Flash Point: 190.2 °C
Density: 1.01 g/cm3
Surface Tension: 36 dyne/cm
Enthalpy of Vaporization: 64.04 kJ/mol
Vapour Pressure: 2.57E-06 mmHg at 25°C
XLogP3-AA: 4.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of N,N-Dimethyl-p-(m-tolylazo)aniline (CAS NO.55-80-1):
IUPAC Name: N,N-dimethyl-4-(3-methylphenyl)diazenylaniline
Canonical SMILES: CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3
InChIKey: LVTFSVIRYMXRSR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | otr-rat:lvr 240 µmol/L | AMOKAG Acta Medicia Okayama. 39 (1985),231. | ||
| 2. | dns-rat:lvr 1 µmol/L | CNREA8 Cancer Research. 46 (1986),1654. | ||
| 3. | orl-rat TDLo:1800 mg/kg/7W-C:CAR | JJIND8 JNCI, Journal of the National Cancer Institute. 71 (1983),855. | ||
| 4. | scu-mus TDLo:7179 mg/kg (15-19D preg):NEO,TER | CALEDQ Cancer Letters (Shannon, Ireland). 17 (1983),321. | ||
| 5. | orl-rat TD:2419 mg/kg/12W-C:CAR | CBINA8 Chemico-Biological Interactions. 53 (1985),107. | ||
| 6. | orl-rat LDLo:1500 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,236. | ||
| 7. | orl-mus LD50:17,700 mg/kg | JKXXAF Japanese Kokai Tokkyo Koho Patents. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #80-157517 . | ||
| 8. | ipr-mus LD50:1530 mg/kg | JJIND8 JNCI, Journal of the National Cancer Institute. 62 (1979),911. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Moderately toxic by ingestion. An experimental teratogen. Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
N,N-Dimethyl-p-(m-tolylazo)aniline ,its CAS NO. is 55-80-1,the synonyms is 3',N,N-Trimethyl-4-aminoazobenzene ; 3'-Mdab ; 3'-Me-Dab ; 3'-Methyl-4-(N,N-dimethylamino)azobenzene ; 3'-Methyl-4-(dimethylamine)azobenzene ; 3'-Methyl-4-dimethylaminoazobenzene ; 3'-Methyl-N,N-dimethyl-4-aminoazobenzene ; 3'-Methyl-dab ; 3'-Methylbuttergelb ; 3'-Methyldimethylaminoazobenzol ; 4-(N,N-Dimethylamino)-3'methylazobenzene ; 4-16-00-00487 (Beilstein Handbook Reference) ; 4-Dimethylamino-3'-methylazobenzene ; AI3-50459 ; Aniline, N,N-dimethyl-p-(3'methylphenylazo)- ; Aniline, N,N-dimethyl-p-(m-tolylazo)- ; BRN 0747123 ; Benzenamine, N,N-dimethyl-4-((3-methylphenyl)azo)- ; CCRIS 1131 ; EINECS 200-243-4 ; HSDB 5071 ; MDAB ; N,N-Dimethyl-4-((3-methylphenyl)azo)benzenamine ; NSC 59783 ; m'-Methyl-p-dimethylaminoazobenzene .