3-Chloro-4-methoxybenzonitrile supplier

Name
3-CHLORO-4-METHOXYBENZONITRILE
EINECS -0
CAS No. 102151-33-7
Article Data13
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 107-111 °C
Formula C₈H₆ClNO
Boiling Point 265.7 °C at 760 mmHg
Molecular Weight 167.595
Flash Point 114.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38-43
Molecular Structure
Hazard Symbols XnXi
Synonyms 3-Chloro-4-methoxybenzonitrile;
PSA 33.02000
LogP 2.22028

3-Chloro-4-methoxybenzonitrile Specification

The Systematic name about this chemical is 3-chloro-4-methoxybenzonitrile. The cas register number of 3-Chloro-4-methoxybenzonitrile is 102151-33-7. It also can be called as benzonitrile, 3-chloro-4-methoxy-.

Physical properties about 3-Chloro-4-methoxybenzonitrile are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02Å²; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 42.51 cm³; (9)Molar Volume: 133.7 cm³; (10)Surface Tension: 46.2 dyne/cm; (11)Density: 1.25 g/cm³; (12)Flash Point: 114.5 °C; (13)Enthalpy of Vaporization: 50.36 kJ/mol; (14)Boiling Point: 265.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00903 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes, respiratory system and skin. It may be cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: Clc1cc(C#N)ccc1OC
2.InChI: InChI=1/C8H6ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
3.InChIKey: SUFOLDHSHRVSQV-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C8H6ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

Product Name

3-CHLORO-4-METHOXYBENZONITRILE

3-Chloro-4-methoxybenzonitrile Specification

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