Benzenemethanol, α-ethynyl-3-nitro- supplier

Name
1-(3-nitrophenyl)prop-2-yn-1-ol
EINECS
CAS No. 83494-25-1
Article Data5
CAS DataBase
Density 1.335 g/cm³
Solubility
Melting Point
Formula C₉H₇NO₃
Boiling Point 293.1 °C at 760 mmHg
Molecular Weight 177.159
Flash Point 128.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Nitrophenyl)-2-propyn-1-ol;NSC 89798;
PSA
LogP

Benzenemethanol, α-ethynyl-3-nitro- Specification

The Benzenemethanol, α-ethynyl-3-nitro-, with the CAS registry number 83494-25-1, is also known as 1-(3-Nitrophenyl)-2-propyn-1-ol. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.1568. What's more, both its IUPAC name and systematic name are the same which is called 1-(3-Nitrophenyl)prop-2-yn-1-ol.

Physical properties about Benzenemethanol, α-ethynyl-3-nitro- are: (1) ACD/LogP: 1.18; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 55.05 Å²; (7) Index of Refraction: 1.616; (8) Molar Refractivity: 46.34 cm³; (9) Molar Volume: 132.6 cm³; (10) Surface Tension: 62.9 dyne/cm; (11) Density: 1.335 g/cm³; (12) Flash Point: 128.9 °C; (13) Enthalpy of Vaporization: 56.25 kJ/mol; (14) Boiling Point: 293.1 °C at 760 mmHg; (15) Vapour Pressure: 0.000802 mmHg at 25 °C.

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

Product Name

1-(3-nitrophenyl)prop-2-yn-1-ol

Benzenemethanol, α-ethynyl-3-nitro- Specification

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