(2,3-Dihydrobenzo[1,4]dioxin-2-yl)acetonitrile supplier

Name
(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-ACETONITRILE
EINECS
CAS No. 18505-91-4
Article Data19
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₂
Boiling Point 326.7 °C at 760 mmHg
Molecular Weight 175.18396
Flash Point 137.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzodioxan-2-acetonitrile(6CI,7CI,8CI);2-Cyanomethyl-2,3-dihydrobenzo[1,4]dioxine;NSC 106870;
PSA 42.25000
LogP 1.74008

(2,3-Dihydrobenzo[1,4]dioxin-2-yl)acetonitrile Specification

The (2,3-Dihydrobenzo[1,4]dioxin-2-yl)acetonitrile with the CAS number 18505-91-4 is also called 1,4-Benzodioxin-2-acetonitrile,2,3-dihydro-. The IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile. Its molecular formula is C₁₀H₉NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (2,3-Dihydrobenzo[1,4]dioxin-2-yl)acetonitrile are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 42.25 Å²; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 46.26 cm³; (9)Molar Volume: 149.3 cm³; (10)Polarizability: 18.34×10^-24cm³; (11)Surface Tension: 49 dyne/cm; (12)Enthalpy of Vaporization: 56.9 kJ/mol; (13)Vapour Pressure: 0.000212 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC1Oc2ccccc2OC1
(2)InChI: InChI=1/C10H9NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5,7H2
(3)InChIKey: PWZFEIJALHLRKF-UHFFFAOYAO

Product Name

(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-ACETONITRILE

(2,3-Dihydrobenzo[1,4]dioxin-2-yl)acetonitrile Specification

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