Home Other Building Blocks 51163-27-0
51163-27-0,MFCD00013867
Catalog No.:AA003IG4
51163-27-0 | 3,4-Dimethylphenyl isocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$29.00   $20.00
- +
5g
97%
in stock  
$72.00   $50.00
- +
10g
97%
in stock  
$115.00   $80.00
- +
25g
97%
in stock  
$229.00   $160.00
- +
100g
97%
in stock  
$762.00   $534.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IG4
Chemical Name:
3,4-Dimethylphenyl isocyanate
CAS Number:
51163-27-0
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013867
IUPAC Name:
4-isocyanato-1,2-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3
InChI Key:
AYCDBMRVKSXYKW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C)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:
4  

Synonyms
 
3,4-Dimethylphenyl isocyanate 
51163-27-0 
AC1Q2LSS 
SCHEMBL58809 
KSC265G2L 
3,4-dimethyl phenyl isocyanate 
CHEBI:60098 
CTK1G5325 
DTXSID50402752 
AYCDBMRVKSXYKW-UHFFFAOYSA-N 
1-isocyanato-3,4-dimethyl-benzene 
4-isocyanato-1,2-dimethyl benzene 
4-isocyanato-1,2-dimethylbenzene 
4-isocyanato-1,2-dimethyl-benzene 
ALBB-007506 
KS-000010KT 
ZINC2560441 
4608AE 
BBL037753 
GEO-02567 
SBB048846 
STK504576 
3,4-Dimethylphenyl isocyanate, 98% 
3,4-dimethylphenylisocyanate 
AKOS000183991 
MCULE-8903608430 
RTR-018238 
CJ-09557 
AB0063662 
AB1003318 
DB-051911 
TR-018238 
BB 0254650 
FT-0614382 
Benzene, 4-isocyanato-1,2-dimethyl- 
R1266 
ST50824079 
A828470 
W-200401 
I01-15544 
F1945-0009 
null 
C9H9NO 
ZINC02560441 
CID4389663 
3,4-dimethyl phenylisocyanate 
MFCD00013867 
3,4-dimethylbenzenisocyanate 
ACMC-1AUMP 
AC1N9QGI 
Literature
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