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7065-46-5,MFCD00000737
Catalog No.:AA003IAN
7065-46-5 | 3,3-Dimethylbutyryl chloride
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  • Technical Information
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Technical Information
Catalog Number:
AA003IAN
Chemical Name:
3,3-Dimethylbutyryl chloride
CAS Number:
7065-46-5
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
MDL Number:
MFCD00000737
IUPAC Name:
3,3-dimethylbutanoyl chloride
InChI:
InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI Key:
BUTKIHRNYUEGKB-UHFFFAOYSA-N
SMILES:
ClC(=O)CC(C)(C)C
EC Number:
230-356-4
Properties
Computed Properties
 
Complexity:
91.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.05g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.603g/mol
Monoisotopic Mass:
134.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
7065-46-5 
3,3-Dimethylbutyryl chloride 
tert-Butylacetyl chloride, 99% 
neohexanoyl chloride 
EINECS 230-356-4 
t-butylacetylchloride 
tertbutylacetylchloride 
PubChem2093 
tert-butylacetylchloride 
tertbutylacetyl chloride 
PubChem13206 
t-butyl acetyl chloride 
3,3-dimethylbutanoyl chloride 
T-butyl-acetyl chloride 
ter-butylacetyl chloride 
ACMC-209ofk 
tert-butyl acetylchloride 
neopentylcarbonyl chloride 
AC1Q1MHW 
tert.-butylacetyl chloride 
EC 230-356-4 
3,3-Dimethylbutyrylchloride 
AC1L31HJ 
tert-Butylacetyl chloride 
AC1Q3G9J 
3,3Dimethylbutanoyl chloride 
3,3-dimethylbutyryl-chloride 
3,3-Dimethylbutyroyl chloride 
SCHEMBL212208 
3,3-dimethyl-butyryl chloride 
3,3-DiMethyl-Butanoyl Chloride 
DTXSID4064557 
CTK3J1154 
KS-00000ULH 
t-Butylacetyl chloride 
Butanoyl chloride,3,3-dimethyl- 
BUTKIHRNYUEGKB-UHFFFAOYSA-N 
3,3-dimethyl-butyric acid chloride 
ACT06988 
ZINC2242608 
3,3-Dimethylbutyryl chloride, 99% 
ANW-35934 
SBB058618 
AKOS000121211 
FS-4081 
Butanoyl chloride, 3,3-dimethyl- 
MCULE-6018997465 
RP20173 
TRA0052459 
3,3-DIMETHYL-N-BUTYRYL CHLORIDE 
BC679579 
SC-06438 
AB0007289 
DB-021812 
TC-124679 
B1196 
3,3-Dimethyl butyryl chloride 
FT-0614078 
ST50214068 
I14-0340 
W-104546 
3,3-Dimethylbutyryl chloride, puriss., >=98.5% (GC) 
F2190-0016 
4-BUTOXYPHENOL 
C6H11ClO 
C6-H11-Cl-O 
Butyryl chloride, 3,3-dimethyl- 
MFCD00000737 
CID81514 
tert-Butylacetyl chloride, 98% 5g 
AR-1L5859 
3,3-Dimethylbutyryl chloride, 99% - 100g 100g 
122-94-1 
72968-69-5 
tert-Butyl acetyl chloride 
3,3-dimethylbutyric acid chloride 
Literature

Title: Nucleophilic reactivity of a d0 molybdenum oxo moiety.

Journal: Dalton transactions (Cambridge, England : 2003) 20090221

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