4-Carboxaldehydebenzocyclobutene supplier

Name
4-Carboxaldehydebenzocyclobutene
EINECS
CAS No. 112892-88-3
Article Data10
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point
Formula C₉H₈O
Boiling Point 249.998 °C at 760 mmHg
Molecular Weight 132.16
Flash Point 140.388 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-carboxaldehydebenzocyclobutene;Bicyclo[4.2.0]octa-1,3,5-triene-3-carbaldehyde;
PSA 17.07000
LogP 1.98290

4-Carboxaldehydebenzocyclobutene Specification

The 4-Carboxaldehydebenzocyclobutene, with the CAS registry number 112892-88-3, has the systematic name of bicyclo[4.2.0]octa-1,3,5-triene-3-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈O.

The characteristics of 4-Carboxaldehydebenzocyclobutene are as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 40.568 cm³; (9)Molar Volume: 112.452 cm³; (10)Polarizability: 16.083×10^-24cm³; (11)Surface Tension: 49.656 dyne/cm; (12)Density: 1.175 g/cm³; (13)Flash Point: 140.388 °C; (14)Enthalpy of Vaporization: 48.725 kJ/mol; (15)Boiling Point: 249.998 °C at 760 mmHg; (16)Vapour Pressure: 0.022 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc2c(c1)CC2
(2)InChI: InChI=1/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5-6H,3-4H2
(3)InChIKey: OIVKWICRTVJWFO-UHFFFAOYAV

Product Name

4-Carboxaldehydebenzocyclobutene

4-Carboxaldehydebenzocyclobutene Specification

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