3-Chloro-5-iodonitrobenzene supplier

Name
3-Chloro-5-iodonitrobenzene
EINECS
CAS No. 123158-76-9
Article Data5
CAS DataBase
Density 2.094 g/cm³
Solubility
Melting Point 70℃
Formula C₆H₃ClINO₂
Boiling Point 301 °C at 760 mmHg
Molecular Weight 283.453
Flash Point 135.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-3-iodo-5-nitrobenzene;
PSA 45.82000
LogP 3.37600

3-Chloro-5-iodonitrobenzene Specification

The 3-Chloro-5-iodonitrobenzene has CAS registry number 123158-76-9. This chemical's molecular formula is C₆H₃ClINO₂ and molecular weight is 283.451. What's more, its systematic name is 1-Chloro-3-iodo-5-nitrobenzene.

Physical properties about 3-Chloro-5-iodonitrobenzene are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 152.14; (6)ACD/BCF (pH 7.4): 152.14; (7)ACD/KOC (pH 5.5): 1269.57; (8)ACD/KOC (pH 7.4): 1269.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 50.6 cm³; (15)Molar Volume: 135.2 cm³; (16)Polarizability: 20.05×10^-24 cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 2.094 g/cm³; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 301 °C at 760 mmHg; (22)Vapour Pressure: 0.00194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(cc(Cl)c1)N(=O)=O
(2) InChI: InChI=1/C6H3ClINO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
(3) InChIKey: MHCNYROPQXSCSQ-UHFFFAOYAU

Product Name

3-Chloro-5-iodonitrobenzene

3-Chloro-5-iodonitrobenzene Specification

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