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95-75-0,MFCD00000556
Catalog No.:AA003IDS
95-75-0 | 3,4-Dichlorotoluene
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25g
>98.0%(GC)
1 week  
$40.00   $28.00
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500g
>98.0%(GC)
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$98.00   $68.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IDS
Chemical Name:
3,4-Dichlorotoluene
CAS Number:
95-75-0
Molecular Formula:
C7H6Cl2
Molecular Weight:
161.0285
MDL Number:
MFCD00000556
IUPAC Name:
1,2-dichloro-4-methylbenzene
InChI:
InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:
WYUIWKFIFOJVKW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)Cl
EC Number:
202-447-9
NSC Number:
8765
Properties
Computed Properties
 
Complexity:
92.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.985g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.025g/mol
Monoisotopic Mass:
159.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
3,4-DICHLOROTOLUENE 
95-75-0 
NSC8765 
3,4-dichloro-toluene 
AC1L1OCY 
EC 202-447-9 
3,4-Dichlorotoluene, 97% 
KSC486Q9R 
CHEMBL47525 
SCHEMBL156450 
ACMC-209s51 
Benzene,2-dichloro-4-methyl- 
1,2-Dichloro-4-methylbenzene 
1,2-Dichloro-4-methyl-benzene 
DTXSID2021814 
CTK3I6898 
1,2-Dichloro-4-methylbenzene # 
Toluene, 3,4-dichloro- (8CI) 
ZINC388384 
NSC-8765 
ANW-40739 
SBB061466 
AKOS009031174 
Benzene, 1,2-dichloro-4-methyl- 
MCULE-4146618623 
RTR-030061 
TRA0079887 
VZ34879 
KS-000011O4 
3,4-Dichlorotoluene, analytical standard 
AJ-20590 
AN-24329 
BR-48621 
CJ-03230 
Toluene, 3,4-dichloro- 
SC-74926 
ZB011477 
DB-024298 
LS-184862 
ST2408427 
TR-030061 
D0426 
FT-0614264 
ST50406749 
X8418 
NSC 8765 
M-5977 
3,4-Dichlorotoluene 100 microg/mL in Methanol 
I01-0425 
2-hydroxy-5-(p-tolylsulfonyloxy)benzenesulfonic acid; piperazine 
InChI=1/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H 
3,4-dichlortoluen 
Toluene,4-dichloro- 
C7H6Cl2 
C7-H6-Cl2 
CID7256 
EINECS 202-447-9 
Benceno, 1,2-dicloro-4-metil- 
3,4-Dichlorotoluene, 98% - 100G 100g 
AI3-02581 
WYUIWKFIFOJVKW-UHFFFAOYSA-N 
MFCD00000556 
Literature

Title: Small molecule receptor protein tyrosine phosphatase γ (RPTPγ) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop.

Journal: Journal of medicinal chemistry 20111013

Title: Design, synthesis and biological evaluation of novel inhibitors of Trypanosoma brucei pteridine reductase 1.

Journal: ChemMedChem 20110207

Title: Arylmethyl substituted derivatives of Fosmidomycin: synthesis and antimalarial activity.

Journal: European journal of medicinal chemistry 20061201

Title: Rational engineering of the regioselectivity of TecA tetrachlorobenzene dioxygenase for the transformation of chlorinated toluenes.

Journal: Microbiology (Reading, England) 20030401

Title: Metabolism of dichloromethylcatechols as central intermediates in the degradation of dichlorotoluenes by Ralstonia sp. strain PS12.

Journal: Journal of bacteriology 20021001

Title: Synthesis and pharmacological evaluation of 6-piperidino- and 6-piperazinoalkyl-2(3H)-benzothiazolones as mixed sigma/5-HT(1A) ligands.

Journal: Bioorganic & medicinal chemistry letters 20020422

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