Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- supplier

Name
3,5-DIMETHOXY-4-HYDROXYPHENYL ACETONITRILE
EINECS
CAS No. 42973-55-7
Density 1.192 g/cm³
Solubility
Melting Point 68-70 °C
Formula C₁₀H₁₁NO₃
Boiling Point 361.1 °C at 760 mmHg
Molecular Weight 193.202
Flash Point 172.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile;3,5-Dimethoxy-4-hydroxyphenylacetonitrile;
PSA 62.48000
LogP 1.47548

Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- Specification

The CAS register number of Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- is 42973-55-7. It also can be called as 3,5-Dimethoxy-4-hydroxyphenylacetonitrile and the IUPAC name about this chemical is 2-(4-hydroxy-3,5-dimethoxyphenyl)acetonitrile. The molecular formula about this chemical is C₁₀H₁₁NO₃ and the molecular weight is 193.2. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 23.89; (4)ACD/KOC (pH 7.4): 23.78; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 51.48 Å²; (9)Index of Refraction: 1.541; (10)Molar Refractivity: 50.95 cm³; (11)Molar Volume: 162 cm³; (12)Polarizability: 20.19x10^-24cm³; (13)Surface Tension: 45.3 dyne/cm; (14)Density: 1.192 g/cm³; (15)Flash Point: 172.2 °C; (16)Enthalpy of Vaporization: 63.08 kJ/mol; (17)Boiling Point: 361.1 °C at 760 mmHg; (18)Vapour Pressure: 1.02E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(OC)c(O)c(OC)c1
(2)InChI: InChI=1/C10H11NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3H2,1-2H3
(3)InChIKey: UUEJSSNOWXNKAP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H11NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3H2,1-2H3
(5)Std. InChIKey: UUEJSSNOWXNKAP-UHFFFAOYSA-N

Product Name

3,5-DIMETHOXY-4-HYDROXYPHENYL ACETONITRILE

Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy- Specification

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