Home Other Building Blocks 6136-68-1
6136-68-1,MFCD00001806
Catalog No.:AA003IQN
6136-68-1 | 3-Acetylbenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$15.00   $10.00
- +
5g
97%
in stock  
$36.00   $25.00
- +
25g
98%
in stock  
$89.00   $62.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IQN
Chemical Name:
3-Acetylbenzonitrile
CAS Number:
6136-68-1
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD00001806
IUPAC Name:
3-acetylbenzonitrile
InChI:
InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChI Key:
SBCFGFDAZCTSRH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)C
EC Number:
228-110-6
UNII:
TSJ72034P9
NSC Number:
210360
Properties
Computed Properties
 
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-Acetylbenzonitrile 
6136-68-1 
TSJ72034P9 
m-acetylbenzonitrile 
EINECS 228-110-6 
NSC210360 
3-acetyl benzonitrile 
PubChem12649 
AC1Q1JVI 
AC1L2Z0J 
AC1Q1JK2 
3-Acetylbenzonitrile 98+% 
m-Cyanoacetophenone 
3-Acetylbenzonitrile, 97% 
ACMC-1BB96 
SCHEMBL39137 
KSC353S9J 
3-CN-C6H4-COCH3 
CTK2F3994 
DTXSID50210273 
OTAVA-BB 1366736 
3-CYANOPHENYL METHYL KETONE 
ACN-S003064 
3'-Cyanoacetophenone 
ACT07890 
KS-00000BZ9 
STR03196 
ZINC1745805 
AM1099 
ANW-33787 
BBL100017 
MFCD00001806 
RW2696 
SBB059192 
Benzonitrile, 3-acetyl- 
STL510972 
AKOS007930840 
AS01138 
CM12899 
CS-W004403 
MCULE-4076434219 
NSC-210360 
PS-4054 
RTR-021151 
TRA0012377 
3-acetyl-benzonitrile 
AC-26105 
AJ-31408 
AK-78792 
BR-78792 
CJ-07003 
CJ-29601 
SC-14980 
SY002919 
AB0030538 
AB1002468 
3-cyanoacetophenone 
Benzonitrile, 3-acetyl-;M-Cyanoacetophenone 
DB-022169 
ST2417435 
TR-021151 
C1993 
FT-0615550 
ST50823970 
X2741 
3 inverted exclamation marka-Cyanoacetophenone 
EN300-37505 
UNII-TSJ72034P9 
A21000 
Z-3337 
10568-EP2311830A1 
10568-EP2316452A1 
MFCD00001806 (97+%) 
136A681 
I01-0335 
W-111725 
Z1235963252 
InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H 
3-acetylbenzenecarbonitrile 
3'-Cyanoacetophenone C9H7NO 145.16 97-101 degrees 120 degrees /5mm 6136-68-1 228-110-6 MFCD00001806 UN3439 6.1 N 
C9H7NO 
C9-H7-N-O 
CID80222 
ACN-028985 
3-Acetylbenzonitrile, 98% - 25G 25g 
SBCFGFDAZCTSRH-UHFFFAOYSA-N 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A