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2131-55-7,MFCD00004810
Catalog No.:AA003L55

2131-55-7 | 4-Chlorophenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$23.00   $16.00
- +
5g
98%(GC)
in stock  
$56.00   $39.00
- +
25g
98%(GC)
in stock  
$153.00   $107.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003L55
Chemical Name:
4-Chlorophenyl isothiocyanate
CAS Number:
2131-55-7
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD00004810
SMILES:
S=C=Nc1ccc(cc1)Cl
NSC Number:
20213
Properties
Properties
 
BP:
249.5°C  
Form:
Solid  
MP:
42-44 °C(lit.)  
Refractive Index:
1.6100 (estimate)  
Stability:
Moisture Sensitive  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.9  

Literature

Title: 4-(4-Chloro-phen-yl)-1-(2-hydr-oxy-2,2-di-phenyl-acet-yl)thio-semicarbazide.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

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