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Hazard Codes | Xi |
Hazard Note | Irritant |
Molecule structure of 6-Bromo-2-benzothiazolehydrazine (CAS NO.37390-63-9):
IUPAC Name: (6-Bromo-1,3-benzothiazol-2-yl)hydrazine
Molecular Weight: 244.11164 [g/mol]
Molecular Formula: C7H6BrN3S
Index of Refraction: 1.831
Molar Refractivity: 56.77 cm3
Molar Volume: 129 cm3
Surface Tension: 80.8 dyne/cm
Density: 1.891 g/cm3
Melting Point: 222-223 °C
Flash Point: 185.4 °C
Enthalpy of Vaporization: 63.15 kJ/mol
Boiling Point: 383 °C at 760 mmHg
Vapour Pressure: 4.54E-06 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 242.94658
MonoIsotopic Mass: 242.94658
Topological Polar Surface Area: 50.9
Heavy Atom Count: 12
Complexity: 169
Canonical SMILES: C1=CC2=C(C=C1Br)SC(=N2)NN
InChI: InChI=1S/C7H6BrN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKey of 6-Bromo-2-benzothiazolehydrazine (CAS NO.37390-63-9): YWLCJGPJVPUESW-UHFFFAOYSA-N
Hazard Codes: Xi
Hazard Note: Irritant
6-Bromo-2-benzothiazolehydrazine (CAS NO.37390-63-9) is also named as Benzothiazole,6-bromo-2-hydrazinyl- ; 2(3H)-Benzothiazolone,6-bromo-, hydrazone (9CI) ; 6-Bromo-2-hydrazinobenzothiazole ; 6-Bromo-2-hydrazino-1,3-benzothiazole .