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83494-25-1

Basic Information
CAS No.: 83494-25-1
Name: Benzenemethanol, α-ethynyl-3-nitro-
Molecular Structure:
Molecular Structure of 83494-25-1 (Benzenemethanol, α-ethynyl-3-nitro-)
Formula: C9H7NO3
Molecular Weight: 177.1568
Synonyms: 1-(3-Nitrophenyl)-2-propyn-1-ol;NSC 89798;
EINECS:
Density: 1.335 g/cm3
Melting Point:
Boiling Point: 293.1 °C at 760 mmHg
Flash Point: 128.9 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA:
LogP:
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  • Benzenemethanol, α-ethynyl-3-nitro- cas  83494-25-1

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    Benzenemethanol, α-ethynyl-3-nitro- cas 83494-25-1

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    Benzenemethanol, α-ethynyl-3-nitro- cas 83494-25-1Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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