Home Carboxes 116-54-1
116-54-1,MFCD00000843
Catalog No.:AA000B9R
116-54-1 | Acetic acid, 2,2-dichloro-, methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
95%
in stock  
$38.00   $27.00
- +
100g
95%
in stock  
$54.00   $38.00
- +
500g
95%
in stock  
$85.00   $60.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000B9R
Chemical Name:
Acetic acid, 2,2-dichloro-, methyl ester
CAS Number:
116-54-1
Molecular Formula:
C3H4Cl2O2
Molecular Weight:
142.9687
MDL Number:
MFCD00000843
IUPAC Name:
methyl 2,2-dichloroacetate
InChI:
InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChI Key:
HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cl)Cl
EC Number:
204-146-8
NSC Number:
2882
UN Number:
2299
Properties
Computed Properties
 
Complexity:
71.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.959g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.963g/mol
Monoisotopic Mass:
141.959g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
METHYL DICHLOROACETATE 
116-54-1 
AI3-18187 
HKMLRUAPIDAGIE-UHFFFAOYSA-N 
MFCD00000843 
Methyl dichloroacetate, 99% 
methyldichloroethanoate 
ACMC-1BRPM 
AC1L1QQB 
Dichloroacetic acid methyl 
methyl2,2-dichloroacetate 
WLN: GYGVO1 
Methyl 2,2-dichloroacetate 
Dichloroaceticacidmethylester 
AC1Q3H0P 
dichloro-aceticacimethylester 
KSC489Q9R 
SCHEMBL270012 
AC1Q41S0 
aceticacid,dichloro-,methylester 
Dichloroacetic acid-methyl ester 
DTXSID2059433 
CTK3I9898 
Dichloroacetic acid methyl ester 
ethanoicacid,dichloro-,methylester 
NSC2882 
KS-00000VU2 
NSC-2882 
ZINC1641200 
ANW-16974 
STL281852 
AKOS009028820 
MCULE-4062853805 
NE10056 
Acetic acid, dichloro-, methyl ester 
RP20808 
RTR-003025 
TRA0076590 
UN 2299 
ACETIC ACID,DICHLORO,METHYL ESTER 
AN-43220 
LS-11601 
N716 
Methyl dichloroacetate [UN2299] [Poison] 
ST2413228 
Acetic acid, 2,2-dichloro-, methyl ester 
TR-003025 
D0309 
FT-0624701 
Methyl dichloroacetate [UN2299] [Poison] 
AZ0001-0076 
EN300-19203 
I14-0827 
W-108580 
F1908-0134 
InChI=1/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H 
CCRIS 7740 
Methyl dichloroacetate, PESTANAL(R), analytical standard 
Dichloroacetic acid-methyl ester 1000 microg/mL in Methyl-tert-butyl ether 
MDC (CHRIS Code) 
Acetic acid, methyl ester 
METHYLDICHLOROACETATE 
C3H4Cl2O2 
C3-H4-Cl2-O2 
Dimethoxyacetic acid methyl ester 
CID8315 
ACETATE, DICHLORO-, METHYL 
NSC 2882 
Methyl dichloroacetate, 99% 100g 
AR-1J5794 
NA2299 
Methyl dichloroacetate (1,000 - <lt/> 10,000 microg/ml) in tert-butyl methyl ether 
118-61-6 
EINECS 204-146-8 
UN2299 
Literature

Title: Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH.

Journal: PloS one 20090101

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