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51-44-5,MFCD00002492
Catalog No.:AA003IDA
51-44-5 | 3,4-Dichlorobenzoic acid
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10g
95%
in stock  
$7.00   $5.00
- +
25g
95%
in stock  
$16.00   $12.00
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100g
95%
in stock  
$48.00   $34.00
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500g
95%
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$202.00   $141.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDA
Chemical Name:
3,4-Dichlorobenzoic acid
CAS Number:
51-44-5
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
MDL Number:
MFCD00002492
IUPAC Name:
3,4-dichlorobenzoic acid
InChI:
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key:
VPHHJAOJUJHJKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)Cl
UNII:
YS4ZR9BXWX
Properties
Computed Properties
 
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.007g/mol
Monoisotopic Mass:
189.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
3,4-dichlorobenzoic acid 
3,4-dichlorobenzoic acid, potassium salt 
BRN 2044777 
AI3-04213 
CHEBI:49401 
VPHHJAOJUJHJKD-UHFFFAOYSA-N 
MFCD00002492 
Benzoic acid,4-dichloro- 
WLN: QVR CG DG 
34Z 
NSC17583 
PubChem3686 
3,4-DICHLOROBENZOIC ACID 
ACMC-209kts 
AC1Q3MXQ 
DSSTox_CID_4980 
AC1L1L7E 
DSSTox_RID_77609 
DSSTox_GSID_24980 
Benzoicacid, 3,4-dichloro- 
KSC272C0B 
AKOS AKM01129 
CHEMBL21015 
51-44-5 
SCHEMBL371998 
3,4-DCBA 
AC1Q72Z9 
RARECHEM AL BO 0329 
3,4-DICHLOROBEZOIC ACID 
DTXSID9024980 
CTK1H2100 
KS-00000JFW 
3,4-Dichlorobenzoic acid, 99% 
OTAVA-BB 1051719 
Benzoic acid, 3,4-dichloro- 
ZINC388271 
BENZOIC ACID,3,4-DICHLORO 
NSC34414 
Tox21_200322 
ANW-31262 
LS-157 
NSC-17583 
NSC-34414 
SBB063116 
STL168893 
UNII-YS4ZR9BXWX 
AKOS000119790 
AC-2437 
AS00789 
MCULE-8161439486 
RP25050 
RTR-018321 
TRA0084282 
CAS-51-44-5 
NCGC00091648-01 
NCGC00091648-02 
3,4-Dichloro-benzoic acid 
NCGC00257876-01 
AJ-20520 
AK-46631 
AN-13950 
AS-13091 
BR-46631 
H296 
SY001131 
DB-051963 
ST2410249 
YS4ZR9BXWX 
TR-018321 
AM20050124 
BB 0221129 
D0340 
FT-0614231 
ST50406564 
M-5924 
MFCD00002492 (97+%) 
AE-562/43459830 
I01-0390 
EINECS 200-099-2 
W-105891 
F2191-0070 
Z1258992440 
3,4-Dichlorobenzoic acid, PESTANAL(R), analytical standard 
InChI=1/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11 
Synstigmine 
Syntostigmin 
Vagostigmin 
3,4-dichlorobenzoate 
3,4-dichlorbenzoesyre 
NSC 17583 
3,4-Dichlorobenzoicacid 
C7H4Cl2O2 
C7-H4-Cl2-O2 
CID5817 
AR-1E9079 
4-09-00-01006 (Beilstein Handbook Reference) 
3,4-Dichlorobenzoic acid, 98.5% - 100G 100g 
52645-97-3 
Literature

Title: ImprimatinC1, a novel plant immune-priming compound, functions as a partial agonist of salicylic acid.

Journal: Scientific reports 20120101

Title: Prediction of solubility of drugs and other compounds in organic solvents.

Journal: Journal of pharmaceutical sciences 20100301

Title: Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range.

Journal: Biochemistry 20071218

Title: Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.

Journal: Organic letters 20050707

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