2-Propyn-1-ol,3-(2-nitrophenyl)- supplier

Name
3-(2-NITRO-PHENYL)-PROP-2-YN-1-OL
EINECS
CAS No. 80151-24-2
Article Data7
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₃
Boiling Point 340.8 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 152.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(2-Nitrophenyl)propargyl alcohol;3-(o-Nitrophenyl)propargyl alcohol;
PSA 66.05000
LogP 1.46180

2-Propyn-1-ol,3-(2-nitrophenyl)- Specification

The 2-Propyn-1-ol,3-(2-nitrophenyl)- is an organic compound with the formula C₉H₇NO₃. With the CAS registry number 80151-24-2, the systematic name of this chemical is 3-(2-nitrophenyl)prop-2-yn-1-ol.

Physical properties about 2-Propyn-1-ol,3-(2-nitrophenyl)- are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 21.44; (5)ACD/BCF (pH 7.4): 21.44; (6)ACD/KOC (pH 5.5): 312.3; (7)ACD/KOC (pH 7.4): 312.3; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.05 Å²; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 46.22 cm³; (14)Molar Volume: 132.1 cm³; (15)Polarizability: 18.32×10^-24cm³; (16)Surface Tension: 64.8 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 152.8 °C; (19)Enthalpy of Vaporization: 61.68 kJ/mol; (20)Boiling Point: 340.8 °C at 760 mmHg; (21)Vapour Pressure: 3.24E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C#CCO
(2)InChI: InChI=1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,7H2
(3)InChIKey: OIRSFUOXMBOZKG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,7H2
(5)Std. InChIKey: OIRSFUOXMBOZKG-UHFFFAOYSA-N

Product Name

3-(2-NITRO-PHENYL)-PROP-2-YN-1-OL

2-Propyn-1-ol,3-(2-nitrophenyl)- Specification

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