Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Cyanobenzoic acid

Related Products

Hot Products

Name

2-Cyanobenzoic acid

EINECS N/A
CAS No. 3839-22-3 Density 1.32g/cm3
PSA 61.09000 LogP 1.25648
Solubility N/A Melting Point 212 °C(lit.)
Formula C8H5NO2 Boiling Point 341.9 °C at 760 mmHg
Molecular Weight 147.133 Flash Point 160.5 °C
Transport Information N/A Appearance Off-white needles
Safety 26-36/37/39-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 3839-22-3 (2-CYANOBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, o-cyano- (6CI,7CI,8CI);2-Cyanobenzoic acid;NSC 193443;o-Carboxybenzonitrile;o-Cyanobenzoic acid;

Article Data 35

2-Cyanobenzoic acid Specification

The Benzoic acid, 2-cyano-, with CAS registry number 3839-22-3, belongs to the following product categories: (1)C8; (2)Carbonyl Compounds; (3)Carboxylic Acids. It has the systematic name of 2-cyanobenzoic acid. This chemical is a kind of off-white needles. And the chemical formula of this chemical is C8H5NO2.

Physical properties of Benzoic acid, 2-cyano-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -2.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.09 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 37.59 cm3; (15)Molar Volume: 111 cm3; (16)Polarizability: 14.9×10-24cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 61.8 kJ/mol; (21)Boiling Point: 341.9 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-formyl-benzonitrile. This reaction will need reagent pyridinium hydrobromide perbromide and solvents acetic acid, H2O. The reaction temperature is 44.85 ℃.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid, 2-cyano- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1C(=O)O
(2)InChI: InChI=1/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
(3)InChIKey: DTNSDCJFTHMDAK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
(5)Std. InChIKey: DTNSDCJFTHMDAK-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 3839-22-3