3-Chloro-2-fluorobenzonitrile supplier

Name
3-Chloro-2-fluorobenzonitrile
EINECS 301-934-4
CAS No. 94087-40-8
Article Data2
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 40-44 °C(lit.)
Formula C₇H₃ClFN
Boiling Point 206.3 °C at 760 mmHg
Molecular Weight 155.559
Flash Point 78.6 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn,T,Xi,N
Synonyms 2-fluoro-3-chlorobenzonitrile;EINECS 301-934-4;Benzonitrile,3-chloro-2-fluoro;chloro fluorobenzonitrile;
PSA 23.79000
LogP 2.35078

3-Chloro-2-fluorobenzonitrile Specification

The Benzonitrile,3-chloro-2-fluoro- with the CAS number 94087-40-8 is also called 3-Chloro-2-fluorobenzonitrile. Its molecular formula is C₇H₃ClFN. The EINECS registry number is 301-934-4. This chemical belongs to the following product categories: (1)Nitrile; (2)C6 to C7; (3)Cyanides/Nitriles; (4)Nitrogen Compounds. It is white to light yellow crystal powder.

The properties of the Benzonitrile,3-chloro-2-fluoro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.61; (6)ACD/BCF (pH 7.4): 33.61; (7)ACD/KOC (pH 5.5): 430.75; (8)ACD/KOC (pH 7.4): 430.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 36.26 cm³; (15)Molar Volume: 116.1 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 44.25 kJ/mol; (19)Vapour Pressure: 0.239 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. You should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)cccc1Cl
(2)InChI: InChI=1/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
(3)InChIKey: CHKLNKWJIDQKFV-UHFFFAOYAI

Product Name

3-Chloro-2-fluorobenzonitrile

3-Chloro-2-fluorobenzonitrile Specification

Related Products

Hot Products