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7153-86-8

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Basic Information
CAS No.: 7153-86-8
Name: 4-Chloro-2-nitrophenylurea
Molecular Structure:
Molecular Structure of 7153-86-8 (4-Chloro-2-nitrophenylurea)
Formula: C7H6 Cl N3 O3
Molecular Weight: 215.596
Synonyms: Urea,(4-chloro-2-nitrophenyl)- (8CI,9CI); 4-Chloro-2-nitrophenylurea; NSC 41822
Density: 1.615
Boiling Point: 340 ºC
Flash Point: 160 ºC
PSA: 100.94000
LogP: 3.03530
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Chemistry

Molecular Structure of 4-Chloro-2-nitrophenylurea (CAS NO.7153-86-8):

IUPAC Name: (4-Chloro-2-nitrophenyl)urea 
Molecular Formula: C7H6ClN3O3
Molecular Weight: 215.59 
Mol File: 7153-86-8.mol 
XLogP3: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 3 
Index of Refraction: 1.687
Molar Refractivity: 50.86 cm3
Molar Volume: 133.4 cm3
Surface Tension: 74 dyne/cm
Density: 1.615 g/cm3
Flash Point: 160 °C
Enthalpy of Vaporization: 58.45 kJ/mol
Boiling Point: 340.9 °C at 760 mmHg
Vapour Pressure: 8.32E-05 mmHg at 25 °C
Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)N
InChI: InChI=1S/C7H6ClN3O3/c8-4-1-2-5(10-7(9)12)6(3-4)11(13)14/h1-3H,(H3,9,10,12)
InChIKey: YJXHCXUVZSLKMC-UHFFFAOYSA-N

Specification

 4-Chloro-2-nitrophenylurea (CAS NO.7153-86-8), its Synonyms are Urea,N-(4-chloro-2-nitrophenyl)- ; Urea,(4-chloro-2-nitrophenyl)- (8CI,9CI) ; (4-chloro-2-nitrophenyl)urea ; N-(4-Chloro-3-nitrophenyl)-urea .