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Basic Information
CAS No.: 64036-72-2
Name: 4-methylbenzothiazol-2-amine monohydrochloride
Molecular Structure:
Molecular Structure of 64036-72-2 (4-methylbenzothiazol-2-amine monohydrochloride)
Formula: C8H8 N2 S . Cl H
Molecular Weight: 200.692
Synonyms: 2-Benzothiazolamine,4-methyl-, monohydrochloride (9CI); Benzothiazole, 2-amino-4-methyl-,hydrochloride (6CI)
Boiling Point: 322°C at 760 mmHg
Flash Point: 148.6°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx and NOx.
PSA: 67.88000
LogP: 2.91900
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Chemistry

Product Name: 4-Methyl-2-aminobenzothiazole hydrochloride (CAS NO.64036-72-2)


Molecular Formula: C8H9ClN2S
Molecular Weight: 200.68846g/mol
Mol File: 64036-72-2.mol
EINECS: 264-615-8
Boiling point: 322 °C at 760 mmHg
Flash Point: 148.6 °C
Enthalpy of Vaporization: 56.38 kJ/mol
Vapour Pressure: 0.000287 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-Methyl-2-aminobenzothiazole hydrochloride (CAS NO.64036-72-2):
  IUPAC Name: (4-Methyl-1,3-benzothiazol-2-yl)azanium chloride
  Canonical SMILES: CC1=C2C(=CC=C1)SC(=N2)[NH3+].[Cl-]
  InChI: InChI=1S/C8H8N2S.ClH/c1-5-3-2-4-6-7(5)10-8(9)11-6;/h2-4H,1H3,(H2,9,10);1H 
  InChIKey: KNAIBOSDRKAJKG-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl, SOx and NOx.

Specification

 4-Methyl-2-aminobenzothiazole hydrochloride , its CAS NO. is 64036-72-2, the synonyms are 2-Amino-4-methylbenzothiazole, hydrochloride ; EINECS 264-615-8 ; 2-Benzothiazolamine, 4-methyl-, hydrochloride (1:1) ; 2-Benzothiazolamine, 4-methyl-, monohydrochloride ; 4-Methylbenzothiazol-2-amine monohydrochloride ; Benzothiazole, 2-amino-4-methyl-, hydrochloride .