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51163-29-2,MFCD00013853
Catalog No.:AA003FRS
51163-29-2 | 2,4-DIMETHYLPHENYL ISOCYANATE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$133.00
- +
1g
95%
1 week  
$145.00
- +
5g
95%
1 week  
$273.00
- +
25g
95%
1 week  
$635.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003FRS
Chemical Name:
2,4-DIMETHYLPHENYL ISOCYANATE
CAS Number:
51163-29-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013853
IUPAC Name:
1-isocyanato-2,4-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChI Key:
QUOBVYPFBJUOAJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C)C
Properties
Computed Properties
 
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1-isocyanato-2,4-dimethylbenzene 
51163-29-2 
SCHEMBL627870 
CTK1G5324 
DTXSID90409982 
QUOBVYPFBJUOAJ-UHFFFAOYSA-N 
1-isocyanato-2,4-dimethyl-benzene 
ALBB-007524 
ZINC2560435 
4610AE 
SBB048857 
STK504594 
2,4-Dimethylphenyl isocyanate 
2,4-Dimethylphenyl isocyanate, 98% 
AKOS000188531 
MCULE-9978064066 
DB-051912 
TR-018239 
BB 0254651 
FT-0610182 
ST50824085 
W-6204 
A828471 
2,4-Dimethylphenylisocyanate 
I01-15535 
F1945-0007 
C9H9NO 
ZINC02560435 
CID5207585 
Benzene, 1-isocyanato-2,4-dimethyl- 
MFCD00013853 
2,4-dimethylbenzenisocyanate 
AC1NPOQT 
ACMC-20aoc8 
AC1Q2HXB 
Literature
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