3-Chloro-5-nitrobenzonitrile supplier

Name
3-Chloro-5-nitrobenzonitrile
EINECS
CAS No. 34662-30-1
Article Data3
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point 84-87 ºC
Formula C₇H₃ClN₂O₂
Boiling Point 261.9 °C at 760 mmHg
Molecular Weight 182.566
Flash Point 112.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-5-nitrobenzonitrile;3-Nitro-5-chlorobenzonitrile;
PSA 69.61000
LogP 2.64308

3-Chloro-5-nitrobenzonitrile Specification

The 3-Chloro-5-nitrobenzonitrile, with the CAS registry number 34662-30-1, is also known as 3-Nitro-5-chlorobenzonitrile. It belongs to the product categories of Blocks; Carboxes; NitroCompounds. This chemical's molecular formula is C₇H₃ClN₂O₂ and molecular weight is 182.56. What's more, its systematic name is 3-chloro-5-nitrobenzonitrile.

Physical properties of 3-Chloro-5-nitrobenzonitrile are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/BCF (pH 5.5): 18.16; (5)ACD/KOC (pH 5.5): 277.29; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 69.61 Å²; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 42.18 cm³; (12)Molar Volume: 123.4 cm³; (13)Surface Tension: 62.6 dyne/cm; (14)Density: 1.47 g/cm³; (15)Flash Point: 112.2 °C; (16)Enthalpy of Vaporization: 49.97 kJ/mol; (17)Boiling Point: 261.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Cl)C#N
(2)InChI: InChI=1S/C7H3ClN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
(3)InChIKey: HLEQCLVTXOSSQV-UHFFFAOYSA-N

Product Name

3-Chloro-5-nitrobenzonitrile

3-Chloro-5-nitrobenzonitrile Specification

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