Home Nitro Compounds 3320-86-3
3320-86-3,MFCD00007092
Catalog No.:AA003HQ2
3320-86-3 | 2-Nitrophenyl isocyanate
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1g
95%
in stock  
$144.00   $101.00
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5g
95%
in stock  
$273.00   $191.00
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25g
95%
in stock  
$852.00   $597.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HQ2
Chemical Name:
2-Nitrophenyl isocyanate
CAS Number:
3320-86-3
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD00007092
IUPAC Name:
1-isocyanato-2-nitrobenzene
InChI:
InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H
InChI Key:
JRVZITODZAQRQM-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1[N+](=O)[O-]
EC Number:
222-024-2
NSC Number:
5384
Properties
Computed Properties
 
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-Nitrophenyl isocyanate 
3320-86-3 
NSC 5384 
EINECS 222-024-2 
nitrophenyl isocyanate 
2-nitrophenylisocynate 
AI3-28252 
AC1L2RRX 
AC1Q1WVM 
AC1Q1WVN 
AC1Q6BLA 
2-nitro phenyl isocyanate 
1-Isocyanato-2-nitrobenzene 
ACMC-1CP5K 
1-Isocyanato-2-nitro-benzene 
SCHEMBL187375 
1-Isocyanato-2-nitrobenzene # 
Benzene,1-isocyanato-2-nitro- 
2-Nitrophenyl isocyanate, 95% 
DTXSID0062975 
CTK4H0171 
NSC5384 
ALBB-007523 
o-Nitrophenyl isocyanate 
NSC-5384 
ZINC4262254 
GEO-02021 
SBB006627 
STK504593 
AKOS000202532 
AB00836 
MCULE-3042973880 
RP02346 
BP-20276 
Benzene, 1-isocyanato-2-nitro- 
AB1003184 
DB-021450 
TR-032806 
FT-0613205 
R1161 
ST50949307 
Unavailable - See ASDI_CatNo 500006559 
W-200307 
I01-15540 
null 
Isocyanic acid, o-nitrophenyl ester 
C7H4N2O3 
MFCD00007092 
C7-H4-N2-O3 
CID76834 
AR-1K9218 
2719-30-4 
68603-39-4 
2-Nitrophenylisocyanate 
JRVZITODZAQRQM-UHFFFAOYSA-N 
2-nitrobenzenisocyanate 
2-Nitrophenyl isocyanate, 99% 
Literature

Title: 1-Benzoyl-4-(2-nitro-phen-yl)semicarbazide.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

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