1-Benzotriazol-1-yl-3-chloropropan-2-one supplier

Name
1-Benzotriazol-1-yl-3-chloropropan-2-one
EINECS
CAS No. 305851-04-1
Article Data2
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₉H₈ClN₃O
Boiling Point 381.9 °C at 760 mmHg
Molecular Weight 209.64
Flash Point 184.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(1H-1,2,3-Benzotriazol-1-yl)-3-chloropropan-2-one;
PSA 47.78000
LogP 1.23920

1-Benzotriazol-1-yl-3-chloropropan-2-one Specification

The 1-Benzotriazol-1-yl-3-chloropropan-2-one, with the CAS registry number 305851-04-1, is also known as 1-(1H-Benzotriazol-1-yl)-3-chloroacetone. This chemical's molecular formula is C₉H₈ClN₃O and molecular weight is 209.6323. What's more, its systematic name is called 1-(1H-Benzotriazol-1-yl)-3-chloropropan-2-one.

Physical properties about 1-Benzotriazol-1-yl-3-chloropropan-2-one are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 47.78 Å²; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 54.43 cm³; (9)Molar Volume: 147.2 cm³; (10)Surface Tension: 54.6 dyne/cm; (11)Density: 1.42 g/cm³; (12)Flash Point: 184.8 °C; (13)Enthalpy of Vaporization: 63.03 kJ/mol; (14)Boiling Point: 381.9 °C at 760 mmHg; (15)Vapour Pressure: 4.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)Cn2nnc1ccccc12
(2) InChI: InChI=1/C9H8ClN3O/c10-5-7(14)6-13-9-4-2-1-3-8(9)11-12-13/h1-4H,5-6H2
(3) InChIKey: INRLHOWDOGFXJJ-UHFFFAOYAQ

Product Name

1-Benzotriazol-1-yl-3-chloropropan-2-one

1-Benzotriazol-1-yl-3-chloropropan-2-one Specification

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