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

Name
3-(3-NITRO-PHENYL)-PROP-2-YN-1-OL
EINECS
CAS No. 103606-71-9
Article Data10
CAS DataBase
Density 1.34g/cm³
Solubility
Melting Point 46-48 °C
Formula C₉H₇NO₃
Boiling Point 331.3 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 148.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(3-Nitrophenyl)-2-propyn-1-ol;3-(m-Nitrophenyl)propargyl alcohol;3-(3-Nitrophenyl)propargyl alcohol;
PSA 66.05000
LogP 1.46180

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

The 2-Propyn-1-ol,3-(3-nitrophenyl)-, its CAS registry number is 103606-71-9. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.16. What's more, its systematic name is 3-(3-Nitrophenyl)prop-2-yn-1-ol.

Physical properties of 2-Propyn-1-ol,3-(3-nitrophenyl)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.44; (6)ACD/BCF (pH 7.4): 21.44; (7)ACD/KOC (pH 5.5): 312.3; (8)ACD/KOC (pH 7.4): 312.3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 46.22 cm³; (15)Molar Volume: 132.1 cm³; (16)Polarizability: 18.32×10^-24 cm³; (17)Surface Tension: 64.8 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 60.59 kJ/mol; (21)Boiling Point: 331.3 °C at 760 mmHg; (22)Vapour Pressure: 6.26E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(C#CCO)c1
(2)InChI: InChI=1/C9H7NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11H,6H2
(3)InChIKey: UFFZMWJSXZWEOM-UHFFFAOYAH

Product Name

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

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

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