1-Naphthalenecarboxylic acid, 5-cyano- supplier

Name
5-cyano-1-naphthoic acid
EINECS
CAS No. 3839-20-1
Article Data3
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₁₂H₇NO₂
Boiling Point 450.969 °C at 760 mmHg
Molecular Weight 197.1895
Flash Point 226.538 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Cyan-naphthoesaeure-(1);5-cyano-1-naphthoic acid;5-cyanonaphthalenecarboxylic acid;1-Naphthalenecarboxylic acid,5-cyano;
PSA 61.09000
LogP 2.40968

1-Naphthalenecarboxylic acid, 5-cyano- Specification

This chemical is called 1-Naphthalenecarboxylic acid, 5-cyano-, and its systematic name is 5-cyanonaphthalene-1-carboxylic acid. With the molecular formula of C₁₂H₇NO₂, its molecular weight is 197.1895. The CAS registry number of this chemical is 3839-20-1.

Other characteristics of the 1-Naphthalenecarboxylic acid, 5-cyano- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 61.09 Å²; (7)Index of Refraction: 1.686; (8)Molar Refractivity: 55.153 cm³; (9)Molar Volume: 145.011 cm³; (10)Polarizability: 21.865×10^-24cm³; (11)Surface Tension: 69.296 dyne/cm; (12)Density: 1.36 g/cm³; (13)Flash Point: 226.538 °C; (14)Enthalpy of Vaporization: 74.813 kJ/mol; (15)Boiling Point: 450.969 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cccc2c1cccc2C#N
2.InChI: InChI=1/C12H7NO2/c13-7-8-3-1-5-10-9(8)4-2-6-11(10)12(14)15/h1-6H,(H,14,15)
3.InChIKey: YBVPGIIGESADCT-UHFFFAOYAI

Product Name

5-cyano-1-naphthoic acid

1-Naphthalenecarboxylic acid, 5-cyano- Specification

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