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CAS No.: | 6764-10-9 |
---|---|
Name: | 2-NITRO-4'-CHLORO DIPHENYL SULFIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C12H8 Cl N O2 S |
Molecular Weight: | 265.72 |
Synonyms: | Sulfide,p-chlorophenyl o-nitrophenyl (6CI,7CI,8CI); 2-Nitro-4'-chlorodiphenyl sulfide;NSC 633007 |
Density: | 1.41±0.1 g/cm3(Predicted) |
Melting Point: | 94 °C(Solv: acetic acid (64-19-7)) |
Boiling Point: | 383.5±27.0 °C(Predicted) |
Flash Point: | 185.8oC |
PSA: | 71.12000 |
LogP: | 4.92260 |
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Molecule structure of 2-Nitro-4'-chlorodiphenyl sulfide (CAS NO.6764-10-9):
IUPAC Name: 1-(4-Chlorophenyl)sulfanyl-2-nitrobenzene
Molecular Weight: 265.71542 [g/mol]
Molecular Formula: C12H8ClNO2S
Index of Refraction: 1.674
Molar Refractivity: 70.33 cm3
Molar Volume: 187.3 cm3
Surface Tension: 61.2 dyne/cm
Density: 1.41 g/cm3
Flash Point: 185.8 °C
Enthalpy of Vaporization: 60.73 kJ/mol
Boiling Point: 383.5 °C at 760 mmHg
Vapour Pressure: 9.64E-06 mmHg at 25 °C
XLogP3-AA: 4.4
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 264.996427
MonoIsotopic Mass: 264.996427
Topological Polar Surface Area: 43.1
Heavy Atom Count: 17
Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl
InChI: InChI=1S/C12H8ClNO2S/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H
InChIKey of 2-Nitro-4'-chlorodiphenyl sulfide (CAS NO.6764-10-9): QDZAHNHWJFQWDL-UHFFFAOYSA-N
2-Nitro-4'-chlorodiphenyl sulfide (CAS NO.6764-10-9) is also named as 1-[(4-Chlorophenyl)sulfanyl]-2-nitrobenzene ; 4-Chlorophenyl 2-nitrophenyl sulfide ; Benzene, 1-[(4-chlorophenyl)thio]-2-nitro- .