Home Fluorides 51903-64-1
51903-64-1,MFCD03427212
Catalog No.:AA003I7U
51903-64-1 | 4-Methyl-3-(trifluoromethyl)phenylisocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$72.00   $50.00
- +
5g
96%
in stock  
$279.00   $195.00
- +
10g
96%
in stock  
$508.00   $356.00
- +
25g
96%
in stock  
$1,016.00   $712.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I7U
Chemical Name:
4-Methyl-3-(trifluoromethyl)phenylisocyanate
CAS Number:
51903-64-1
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD03427212
IUPAC Name:
4-isocyanato-1-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F3NO/c1-6-2-3-7(13-5-14)4-8(6)9(10,11)12/h2-4H,1H3
InChI Key:
XWSZWQGFJRBXMO-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C(F)(F)F)C
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
51903-64-1 
4-Methyl-3-(trifluoromethyl)phenylisocyanate 
CTK4J5074 
DTXSID00392573 
XWSZWQGFJRBXMO-UHFFFAOYSA-N 
ZINC2585391 
MFCD03427212 
SBB064741 
AKOS010078556 
AS04331 
AS06150 
CM13779 
3-(Trifluoromethyl)-4-methylphenyl isocyanate 
4-methyl-3-trifluoromethylphenyl isocyanate 
TC-170124 
4-methyl-3-(trifluoromethyl)benzenisocyanate 
FT-0657229 
A21666 
4-Isocyanato-1-methyl-2-trifluoromethyl-benzene 
3-(Trifluoromethyl)-4-methylphenyl isocyanate, 97% 
I01-5580 
Benzene, 4-isocyanato-1-methyl-2-(trifluoromethyl)- 
2-Fluoro-5-isocyanatobenzotrifluoride 
4-isocyanato-1-methyl-2-(trifluoromethyl)benzene 
CID3449170 
4-Fluoro-3-(trifluoromethyl)phenyl isocyanate 
1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene 
Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)- 
139057-86-6 
4-Methyl-3-(trifluoromethyl)phenyl isocyanate 
ACMC-20anhx 
PubChem4456 
AC1MQBRM 
Benzene,4-isocyanato-1-methyl-2-(trifluoromethyl)- 
SCHEMBL1403637 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A