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21644-95-1

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Basic Information
CAS No.: 21644-95-1
Name: 4-[(4-Amino-o-tolyl)azo]-2,6-xylenol
Molecular Structure:
Molecular Structure of 21644-95-1 (4-[(4-Amino-o-tolyl)azo]-2,6-xylenol)
Formula: C15H17N3O
Molecular Weight: 255.35
Synonyms: o-CRESOL,4-(1-(4-AMINO-2-METHYLPHENYL)AZO)-6-METHYL;Azobenzene,4-amino-4'-hydroxy-2,3',5'-trimethyl;4-Amino-4'-hydroxy-2,3',5'-trimethylazobenzene;2,3',5'-Trimethyl-4-amino-4'-hydroxy-azobenzol;
Density: 1.17g/cm3
Boiling Point: 413.7°C at 760 mmHg
Flash Point: 204°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 67.48000
LogP: 3.47460
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Chemistry

Product Name: 4-Amino-4'-hydroxy-2,3',5'-trimethylazobenzene (CAS NO.21644-95-1)


Molecular Formula: C15H17N3O
Molecular Weight: 255.35g/mol
Mol File: 21644-95-1.mol
Boiling point: 413.7 °C at 760 mmHg
Flash Point: 204 °C
Density: 1.17 g/cm3
Surface Tension: 41.6 dyne/cm
Enthalpy of Vaporization: 66.66 kJ/mol
Vapour Pressure: 4.69E-07 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Amino-4'-hydroxy-2,3',5'-trimethylazobenzene (CAS NO.21644-95-1):
  IUPAC Name: 4-[(4-Amino-2-methylphenyl)hydrazinylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
  Canonical SMILES: CC1=CC(=NNC2=C(C=C(C=C2)N)C)C=C(C1=O)C
  InChI: InChI=1S/C15H17N3O/c1-9-6-12(16)4-5-14(9)18-17-13-7-10(2)15(19)11(3)8-13/h4-8,18H,16H2,1-3H3 
  InChIKey: FLDWYZYQIPYBBT-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 142mg/kg (142mg/kg) BEHAVIORAL: SLEEP Annals of Applied Biology. Vol. 52, Pg. 33, 1963.
rat LDLo oral 600mg/kg (600mg/kg) BEHAVIORAL: SLEEP Annals of Applied Biology. Vol. 52, Pg. 33, 1963.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-Amino-4'-hydroxy-2,3',5'-trimethylazobenzene , its CAS NO. is 21644-95-1, the synonyms are Azobenzene, 4-amino-4'-hydroxy-2,3',5'-trimethyl- ; BRN 0666207 ; o-Cresol, 4-(1-(4-amino-2-methylphenyl)azo)-6-methyl- .