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102-47-6,MFCD00000906
Catalog No.:AA00065W
102-47-6 | 3,4-Dichlorobenzyl chloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$14.00   $10.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
100g
98%
in stock  
$57.00   $40.00
- +
500g
99%(GC)
in stock  
$277.00   $194.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00065W
Chemical Name:
3,4-Dichlorobenzyl chloride
CAS Number:
102-47-6
Molecular Formula:
C7H5Cl3
Molecular Weight:
195.4736
MDL Number:
MFCD00000906
IUPAC Name:
1,2-dichloro-4-(chloromethyl)benzene
InChI:
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChI Key:
YZIFVWOCPGPNHB-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)Cl)Cl
EC Number:
203-033-0
UNII:
451PB8SMIE
NSC Number:
406893
Properties
Computed Properties
 
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.946g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.467g/mol
Monoisotopic Mass:
193.946g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
3,4-Dichlorobenzyl chloride 
102-47-6 
3,4-Dichlorophenylmethyl chloride 
YZIFVWOCPGPNHB-UHFFFAOYSA-N 
Toluene, .alpha.,3,4-trichloro- 
MFCD00000906 
3,4-Dichlorobenzyl chloride, 98+% 
EINECS 203-033-0 
NSC 406893 
PubChem13717 
AI3-14887 
Toluene,3,4-trichloro- 
1,2-DICHLORO-4-(CHLOROMETHYL)BENZENE 
3,4-dichlorobenzylchoride 
3,4dichlorobenzyl chloride 
3,4-diclorobenzyl chloride 
AC1L1P5G 
3,4-dichloro benzylchloride 
KSC495M4F 
SCHEMBL407334 
.alpha.,3,4-Trichlorotoluene 
ACMC-20981u 
AC1Q3U10 
alpha,3,4-Trichlorotoluene 
DTXSID9059252 
CTK3J5642 
ACT00762 
KS-00000YQ4 
ZINC2504272 
3,4-Dichlorobenzyl chloride, 97% 
4-chloromethyl-1,2-dichloro-benzene 
ANW-14704 
BBL014075 
NSC406893 
Benzene, 1,2-dichloro-4-(chloromethyl)- 
SBB040647 
STK397517 
1,2-dichloro-4-(chioromethyl)benzene 
3,4-dichloro-1-(chloromethyl)benzene 
AKOS000119571 
Benzene, 3,4-dichloro-1-chloromethyl 
Benzene,2-dichloro-4-(chloromethyl)- 
ACN-050964 
AM90450 
AS02061 
1,2-Dichloro-4-chloromethyl-benzene 
MCULE-6138604007 
NSC-406893 
1,2-dichloro-4-(chloromethyl)-benzene 
Toluene, alpha,3,4-trichloro- (8CI) 
AJ-35971 
AS-10900 
BP-21046 
BR-53436 
CJ-08440 
SC-16003 
UNII-451PB8SMIE 
RT-002619 
ST2402958 
TL8000123 
1,2-bis(chloranyl)-4-(chloromethyl)benzene 
FT-0631548 
ST50214094 
S-3663 
A800576 
I01-2997 
W-108870 
3,4-dichlorobenzylchloride 
F0001-0068 
UNII-6Q4QCU6N2R component YZIFVWOCPGPNHB-UHFFFAOYSA-N 
InChI=1/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H 
C7H5Cl3 
alpha-3,4-trichlortoluen 
.alpha.,4-Trichlorotoluene 
C(Cl)c1ccc(Cl)c(Cl)c1 
C7-H5-Cl3 
3,4-DCBC 
3,4,A-TRICHLOROTOLUENE 
451PB8SMIE 
TIMTEC-BB SBB040647 
CID7609 
LABOTEST-BB LTBB004243 
3 4 ALPHA-TRICHLOROTOLUENE 
DICHLOROBENZYL-3,4 CHLORIDE 
AKOS BBS-00003955 
LABOTEST-BB LT03380106 
T0401 
3,4-Dichlorobenzyl chloride, 98% - 100G 100g 
?,3,4-Trichlorotoluene (<lt/> 100 microg/ml) in methanol 
A,3,4-TRICHLOROTOLUENE 
3290-06-0 
Literature

Title: One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

Journal: Journal of medicinal chemistry 20090723

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