Home Fluorides 83594-83-6
83594-83-6,MFCD02093693
Catalog No.:AA003IKD
83594-83-6 | 3,5-Difluorophenylisocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$72.00   $50.00
- +
5g
98%
in stock  
$172.00   $120.00
- +
25g
98%
in stock  
$461.00   $323.00
- +
100g
98%
in stock  
$1,334.00   $934.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IKD
Chemical Name:
3,5-Difluorophenylisocyanate
CAS Number:
83594-83-6
Molecular Formula:
C7H3F2NO
Molecular Weight:
155.1016
MDL Number:
MFCD02093693
IUPAC Name:
1,3-difluoro-5-isocyanatobenzene
InChI:
InChI=1S/C7H3F2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI Key:
WUCCJYOIAJTFFQ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(F)cc(c1)F
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.018g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.104g/mol
Monoisotopic Mass:
155.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
83594-83-6 
3,5-Difluorophenyl isocyanate 
benzene, 1,3-difluoro-5-isocyanato- (9ci) 
ACMC-1BK6P 
KSC650Q9D 
3,5-difluorophenyl-isocyanate 
SCHEMBL159581 
516562_ALDRICH 
CTK5F0891 
DTXSID40381365 
WUCCJYOIAJTFFQ-UHFFFAOYSA-N 
1,3-difluoro-5-isocyanato-benzene 
3,5-Difluorophenylisocyanate 
1-isocyanato-3,5-difluoro benzene 
3,5-difluorophenyl isocyanate 97% 
ACT13184 
ALBB-003021 
ZINC2389320 
0315AF 
BBL037647 
GEO-01060 
KM2171 
MFCD02093693 
1,3-difluoro-5-isocyanatobenzene 
STK502541 
AKOS000190694 
AB10803 
AS04329 
MCULE-2896795914 
TRA0084346 
VZ25781 
CJ-08337 
PS-10294 
AB0063661 
3,5-difluoro-1-isocyanatobenzene 
DB-056726 
TR-025985 
BB 0260737 
FT-0641909 
BENZENE, 1,3-DIFLUORO-5-ISOCYANATO- 
A21654 
1,3-difluoro-5-isocyanatobenzene(saltdata: free) 
594D836 
I01-4971 
W-200513 
Benzene,1,3-difluoro-5-isocyanato- 
Benzene, 1,3-difluoro-5-isocyanato- (9CI);1,3-difluoro-5-isocyanatobenzene 
C7H3F2NO 
ZINC02389320 
CID2779282 
3,5-Difluorophenyl isocyanate, 97% - 1G 1g 
(4-CHLORO-2-FLUOROPHENYL)METHANESULFONYL CHLORIDE 
1-isocyanato-3,5-difluorobenzene 
3,5-Difluorophenyl isocyanate, 97% 
PubChem4454 
AC1MCV6U 
Literature
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