Home Other Building Blocks 6613-44-1
6613-44-1,MFCD02313742
Catalog No.:AA003IM3
6613-44-1 | 3,5-Dimethylbenzoyl chloride
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25g
98%
in stock  
$43.00   $30.00
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100g
98%
in stock  
$129.00   $90.00
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500g
98%
in stock  
$500.00   $350.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IM3
Chemical Name:
3,5-Dimethylbenzoyl chloride
CAS Number:
6613-44-1
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD02313742
IUPAC Name:
3,5-dimethylbenzoyl chloride
InChI:
InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
InChI Key:
ZJIOBDJEKDUUCI-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(C)cc(c1)C
EC Number:
413-010-9
Properties
Computed Properties
 
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3,5-Dimethylbenzoyl chloride 
6613-44-1 
AC1Q3G7I 
3,5 dimethylbenzoyl chloride 
3.5-dimethylbenzoyl chloride 
5-(Chlorocarbonyl)-m-xylene 
KSC355E1P 
SCHEMBL347092 
3,5-Dimethyl-benzoyl chloride 
AC1L30L0 
Benzoylchloride, 3,5-dimethyl- 
DTXSID4064420 
3,5-Dimethyl Benzoyl Chloride 
CTK2F5217 
ZJIOBDJEKDUUCI-UHFFFAOYSA-N 
ACT07568 
KS-00000W2Z 
ZINC2581527 
AC-356 
ANW-35150 
KM0991 
MFCD02313742 
SBB067894 
Benzoyl chloride, 3,5-dimethyl- 
WT1893 
AKOS009217951 
AS06253 
RTC-064015 
TRA0095095 
3,5-dimethyl-1-benzenecarbonyl chloride 
3,5-Dimethylbenzoyl chloride, AldrichCPR 
AN-15897 
AS-13441 
BC209254 
3,5-dimethylbenzoylchloride 
CJ-10241 
I267 
LS-42604 
SC-12689 
6613-44-1 3,5-Dimethylbenzoyl chloride 
DB-022099 
TC-064015 
TL8004689 
D3550 
FT-0614690 
m-Xylene-5-carbonyl Chloride 
A24250 
613D441 
I01-2690 
F2190-0042 
C9H9ClO 
C9-H9-Cl-O 
CID81088 
AR-1E9763 
ZINC02581527 
Benzoyl chloride, 3,5-dimethyl- (6CI,7CI,8CI,9CI) 
PubChem15465 
68036-94-2 
ACMC-1B8CP 
EC 413-010-9 
5-(Chloroformyl)-m-xylene 
Literature

Title: N'-tert-Butyl-N'-(3,5-dimethyl-benzo-yl)-2,2-dimethyl-4-oxochroman-6-carbo-hydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: 3-tert-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl 3,5-dimethyl-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

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