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54132-75-1,MFCD00013868
Catalog No.:AA003IMA
54132-75-1 | 3,5-Dimethylphenyl Isocyanate
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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$22.00   $16.00
- +
25g
98%
in stock  
$90.00   $63.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IMA
Chemical Name:
3,5-Dimethylphenyl Isocyanate
CAS Number:
54132-75-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013868
IUPAC Name:
1-isocyanato-3,5-dimethylbenzene
InChI:
InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChI Key:
DZSGDHNHQAJZCO-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(C)cc(c1)C
EC Number:
258-987-0
Properties
Computed Properties
 
Complexity:
162  
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
 
3,5-Dimethylphenyl isocyanate 
54132-75-1 
EINECS 258-987-0 
AC1LAVNG 
ACMC-1AXCT 
AC1Q2GVZ 
3,5-dimethylbenzenisocyanate 
SCHEMBL59852 
KSC274I2T 
5-ISOCYANATO-M-XYLENE 
3,5-dimethyl-phenyl-isocyanate 
CTK1H4429 
3,5-Dimethylphenylisocyanate 
KS-00000UVK 
DTXSID30202474 
ZINC164819 
ALBB-007508 
BCP15265 
1-Isocyanato-3,5-dimethylbenzene # 
5265AE 
ANW-31970 
EBD210628 
GEO-02836 
1-Isocyanato-3,5-dimethylbenzene 
STK504578 
3,5-Dimethylphenyl isocyanate, 99% 
AKOS000177074 
AB01131 
AS06144 
CM13769 
MCULE-9627165521 
RTR-019142 
TRA0022398 
VZ25850 
3,5-Xylyl isocyanate 
AS-10327 
SC-20908 
ZB008318 
AB0063659 
DB-022104 
TR-019142 
D3474 
FT-0614743 
ST50824087 
K-9779 
Benzene, 1-isocyanato-3,5-dimethyl- 
A829980 
W-105671 
I01-15546 
F1945-0017 
C9H9NO 
C9-H9-N-O 
CID521488 
Isocyanic Acid 3,5-Dimethylphenyl Ester 
DZSGDHNHQAJZCO-UHFFFAOYSA-N 
1-isocyanato-3,5-dimethyl-benzene 
MFCD00013868 
Literature
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