CAS No.102151-33-7,3-CHLORO-4-METHOXYBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102151-33-7
Name:	3-CHLORO-4-METHOXYBENZONITRILE
Article Data:	13

Formula:	C₈H₆ClNO
Molecular Weight:	167.595
Synonyms:	3-Chloro-4-methoxybenzonitrile;
EINECS:	-0
Density:	1.25 g/cm³
Melting Point:	107-111 °C
Boiling Point:	265.7 °C at 760 mmHg
Flash Point:	114.5 °C
Hazard Symbols:	XnXi
Risk Codes:	22-36/37/38-43
Safety:	26-36
PSA:	33.02000
LogP:	2.22028

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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