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Basic Information
CAS No.: 26278-79-5
Name: 2-Amino-benzothiazol-6-ol
Article Data: 42
Molecular Structure:
Molecular Structure of 26278-79-5 (2-Amino-benzothiazol-6-ol)
Formula: C7H6N2OS
Molecular Weight: 166.203
Synonyms: BENZOTHIAZOLE, 2-AMINO-6-HYDROXY-;2-Amino-6-hydroxybenzothiazole;6-Hydroxy-2-aminobenzothiazole;
Density: 1.553 g/cm3
Melting Point: 243-250℃
Boiling Point: 394.6 °C at 760 mmHg
Flash Point: 192.4 °C
Hazard Symbols: Xn
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 87.38000
LogP: 2.16530
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Chemistry

The molecular structure of 2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5):

IUPAC Name: 2-Amino-1,3-benzothiazol-6-ol 
Molecular Formula: C7H6N2OS
Molecular Weight: 166.2003 g/mol
Density: 1.553 g/cm3
Boiling Point: 394.6 °C at 760 mmHg
Flash Point: 192.4 °C
Index of Refraction: 1.823 
Molar Refractivity: 46.68 cm3 
Molar Volume: 106.9 cm3 
Polarizability: 18.5 10-24 cm3 
Surface Tension: 89.7 dyne/cm 
Enthalpy of Vaporization: 66.98 kJ/mol 
Vapour Pressure: 8.61E-07 mmHg at 25 °C 
XLogP3: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 6
Exact Mass: 166.020084
MonoIsotopic Mass: 166.020084
Topological Polar Surface Area: 59.1
Heavy Atom Count: 11 
Canonical SMILES: C1=CC2=C(C=C1O)SC(=N2)N
InChI: InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)
InChIKey: VLNVTNUTGNBNBY-UHFFFAOYSA-N
Product Categories of 2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5): BENZOTHIAZOLE

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
 

Safety Profile

Risk Statements: 36/37/38 
36/37/38:  Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection

Specification

 2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5) is also named as 4-27-00-05450 (Beilstein Handbook Reference) ; 6-Hydroxy-2-aminobenzothiazole ; BRN 0127746 ; Benzothiazole, 2-amino-6-hydroxy- .