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5407-51-2

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Basic Information
CAS No.: 5407-51-2
Name: benzothiazole-2,6-diamine
Article Data: 23
Cas Database
Molecular Structure:
Molecular Structure of 5407-51-2 (benzothiazole-2,6-diamine)
Formula: C7H7 N3 S
Molecular Weight: 165.219
Synonyms: Benzothiazole,2,6-diamino- (6CI,7CI,8CI); 2,6-Diaminobenzothiazole; NSC 5436
Density: 1.49g/cm3
Melting Point: 207 °C
Boiling Point: 404.4°Cat760mmHg
Flash Point: 198.4°C
PSA: 93.17000
LogP: 2.62310
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Chemistry

Molecular Structure of 2,6-Benzothiazolediamine (CAS No.5407-51-2):
 
Molecular Formula: C7H7N3S
Molecular Weight: 165.2156
CAS No: 5407-51-2
H bond acceptors: 3
H bond donors: 4
Freely Rotating Bonds: 1
Polar Surface Area: 47.61 Å2
Index of Refraction: 1.838
Molar Refractivity: 49.04 cm3
Molar Volume: 110.8 cm3
Surface Tension: 88.7 dyne/cm
Density: 1.49 g/cm3
Flash Point: 198.4 °C
Enthalpy of Vaporization: 65.58 kJ/mol
Boiling Point: 404.4 °C at 760 mmHg
Vapour Pressure: 9.49E-07 mmHg at 25°C
InChI: InChI=1/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
InChIKey: HYBCFWFWKXJYFT-UHFFFAOYAZ
Std. InChI: InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
Std. InChIKey: HYBCFWFWKXJYFT-UHFFFAOYSA-N
IUPAC Name: 1,3-Benzothiazole-2,6-diamine
Product Categories: Benzothiazole

Toxicity Data With Reference


Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 384mg/kg (384mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.

Specification

  2,6-Benzothiazolediamine (CAS No.5407-51-2), its synonyms are 1,3-Benzothiazole-2,6-diamine ; 6-Amino-2-aminobenzothiazole ; Benzothiazole-2,6-diamine .