Home Fluorides 42601-04-7
42601-04-7,MFCD00065711
Catalog No.:AA003IEE
42601-04-7 | 3,4-DIFLUOROPHENYL ISOCYANATE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$166.00   $117.00
- +
5g
98%
in stock  
$295.00   $207.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEE
Chemical Name:
3,4-DIFLUOROPHENYL ISOCYANATE
CAS Number:
42601-04-7
Molecular Formula:
C7H3F2NO
Molecular Weight:
155.1016
MDL Number:
MFCD00065711
IUPAC Name:
1,2-difluoro-4-isocyanatobenzene
InChI:
InChI=1S/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
YBWJVFMNWMLZEN-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
179  
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:
3.1  

Synonyms
 
3,4-Difluorophenyl isocyanate 
42601-04-7 
AC1MC1QZ 
AC1Q4MCT 
3,4-difluoro-phenylisocyanate 
SCHEMBL161540 
3,4-difluoro-phenyl isocyanate 
CTK4I6463 
DTXSID80370455 
OTAVA-BB 1055616 
YBWJVFMNWMLZEN-UHFFFAOYSA-N 
1-isocyanato-3,4-difluoro benzene 
1,2-difluoro-4-isocyanatobenzene 
ZINC2539239 
ANW-29850 
BBL100554 
GEO-01057 
MFCD00065711 
SBB087048 
STL554348 
3,4-Difluorophenyl isocyanate, 97% 
AKOS000190891 
AB02669 
3,4-Difluorophenylisocyanate 
AS00726 
VZ34881 
1,2-bis(fluoranyl)-4-isocyanato-benzene 
PS-10295 
SC-94030 
AB0034180 
DB-050946 
TC-118595 
D3696 
FT-0639806 
Benzene,1,2-difluoro-4-isocyanato- 
ST50824501 
X8292 
A825958 
I01-2580 
W-200366 
C7H3F2NO 
ZINC02539239 
CID2734708 
3,4-Difluorophenyl isocyanate, 98% - 1G 1g 
3,4-Difluoro phenyl isocyanate 
Isocyanic Acid 3,4-Difluorophenyl Ester 
1,2-DIFLUORO-4-ISOCYANATO-BENZENE 
3,4-difluorobenzenisocyanate 
ACMC-1APVI 
Literature
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