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Cas Database |
| Name |
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene |
EINECS | N/A |
| CAS No. | 21554-20-1 | Density | 1.19g/cm3 |
| PSA | 67.48000 | LogP | 3.16620 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H15 N3 O | Boiling Point | 409.4°C at 760 mmHg |
| Molecular Weight | 241.293 | Flash Point | 201.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-Xylenol,4-[(p-aminophenyl)azo]- (7CI,8CI); 4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene |
Article Data | 2 |
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene Chemical Properties
Product Name: 4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene (CAS NO.21554-20-1)
Molecular Formula: C14H15N3O
Molecular Weight: 241.2884g/mol
Mol File: 21554-20-1.mol
Boiling point: 409.4 °C at 760 mmHg
Flash Point: 201.4 °C
Density: 1.19 g/cm3
Surface Tension: 44.1 dyne/cm
Enthalpy of Vaporization: 66.15 kJ/mol
Vapour Pressure: 6.53E-07 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene (CAS NO.21554-20-1):
IUPAC Name: 4-[(4-Aminophenyl)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
Canonical SMILES: CC1=CC(=NNC2=CC=C(C=C2)N)C=C(C1=O)C
InChI: InChI=1S/C14H15N3O/c1-9-7-13(8-10(2)14(9)18)17-16-12-5-3-11(15)4-6-12/h3-8,16H,15H2,1-2H3
InChIKey: PDNYTMLLIWNVQY-UHFFFAOYSA-N
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 350mg/kg (350mg/kg) | BEHAVIORAL: SLEEP | Annals of Applied Biology. Vol. 52, Pg. 33, 1963. |
| rat | LD50 | oral | > 2gm/kg (2000mg/kg) | Annals of Applied Biology. Vol. 52, Pg. 33, 1963. |
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene Safety Profile
Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene Specification
4-Amino-3',5'-dimethyl-4'-hydroxyazobenzene , its CAS NO. is 21554-20-1, the synonyms are Azobenzene, 4-amino-3',5'-dimethyl-4'-hydroxy- ; BRN 0656524 ; o-Cresol, 4-(p-aminophenylazo)-6-methyl- .
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