Home Other Building Blocks 4198-90-7
4198-90-7,MFCD00221716
Catalog No.:AA003ILS
4198-90-7 | 3,5-Dimethyl-4-hydroxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$11.00   $8.00
- +
25g
97%
in stock  
$26.00   $18.00
- +
100g
98%
in stock  
$54.00   $38.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ILS
Chemical Name:
3,5-Dimethyl-4-hydroxybenzonitrile
CAS Number:
4198-90-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00221716
IUPAC Name:
4-hydroxy-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChI Key:
WFYGXOWFEIOHCZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)O
EC Number:
452-810-2
Properties
Computed Properties
 
Complexity:
169  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
4-Hydroxy-3,5-dimethylbenzonitrile 
4198-90-7 
3,5-Dimethyl-4-hydroxybenzonitrile, 97% 
4-hydroxy-3,5-dimethylbenzenecarbonitrile 
PubChem11065 
ACMC-209jmm 
AC1L2FP8 
AC1Q2GX3 
KSC236A8T 
SCHEMBL197918 
CTK1D6089 
DTXSID00194791 
3,5-Dimethyl-4-hydroxybenzonitrile 
WFYGXOWFEIOHCZ-UHFFFAOYSA-N 
ZINC162656 
ACT12497 
ALBB-016105 
3,5,-dimethyl-4-hydroxybenzonitrile 
3,5-Dimethyl 4-hydroxy benzonitrile 
3,5-dimethyl-4-hydroxy-benzonitrile 
4-hydroxy-3,5-dimethyl benzonitrile 
ANW-29708 
CH-094 
4-Cyano-2,6-dimethylphenol 
SBB005819 
4-hydroxy 3, 5-dimethyl benzonitrile 
AKOS005256952 
AC-8502 
AN-7939 
CS-W020066 
DS-0804 
FR-2364 
MCULE-8888349386 
PB30622 
2,6-Dimethyl-4-cyanophenol 
PS-4473 
RP17348 
RTR-016511 
SB10009 
TRA0087558 
KS-000002R7 
AC-19781 
AJ-15936 
AK-32495 
BP-10033 
4-Hydroxy-3,5-DiMethyl-Benzonitrile 
BR-32495 
LS-38702 
S103 
ST092336 
SY018922 
ZB007869 
4-Hydroxy-3,5-dimethylbenzonitrile, 98% 
AB0018485 
AB1004209 
DB-028298 
3,5-dimethyl-4-hydroxy benzonitrile 
ST2411454 
TR-016511 
AM20060814 
D2790 
FT-0081732 
FT-0610687 
FT-0614672 
TL80073506 
EN300-91953 
C-8863 
BRN 2574734 
21555-EP2305660A1 
21555-EP2314295A1 
MFCD00221716 (97+%) 
876H153 
I01-0290 
J-515484 
C9H9NO 
C9-H9-N-O 
3,5 Dimethyl-4-hydroxybenzonitrile 
CID20176 
BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY- 
CS-M-47149 
A6884 
4-10-00-00681 (Beilstein Handbook Reference) 
BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL- 
EC 452-810-2 
876-15-3 
695-53-4 
MFCD00221716 
Literature

Title: Cyanation of arenes via iridium-catalyzed borylation.

Journal: Journal of the American Chemical Society 20100825

Title: Polarizable continuum model associated with the self-consistent-reaction field for molecular adsorbates at the interface.

Journal: Physical chemistry chemical physics : PCCP 20100107

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A