Home Fluorides 705-29-3
705-29-3,MFCD00000908
Catalog No.:AA003I4L
705-29-3 | 3-(Trifluoromethyl)benzyl chloride
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1g
98%
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$15.00   $10.00
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5g
98%
in stock  
$18.00   $12.00
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25g
98%
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$43.00   $30.00
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100g
98%
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I4L
Chemical Name:
3-(Trifluoromethyl)benzyl chloride
CAS Number:
705-29-3
Molecular Formula:
C8H6ClF3
Molecular Weight:
194.5814
MDL Number:
MFCD00000908
IUPAC Name:
1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChI Key:
XGASTRVQNVVYIZ-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(F)(F)F
EC Number:
211-884-4
NSC Number:
5227
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.011g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.581g/mol
Monoisotopic Mass:
194.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
3-trifluoromethylbenzyl chloride 
m-trifluoromethylbenzyl chloride 
alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene 
72844-59-8 
NSC 5227 
3-Chloromethylbenzotrifluoride 
3-trifluoromethylbenzylchloride 
m-trifluoromethyl benzyl chloride 
m-(Trifluoromethyl)benzyl chloride 
XGASTRVQNVVYIZ-UHFFFAOYSA-N 
3-(trifluoromethyl)-benzyl chloride 
MFCD00000908 
.alpha.-Chloro-3-trifluoromethyltoluene 
705-29-3 
1-chloromethyl-3-trifluoromethyl-benzene 
3-(chloromethyl)-1-(trifluoromethyl)benzene 
alpha-Chloro-alpha',alpha',alpha'-trifluoro-m-xylene 
.alpha.'-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene 
g1r cxfff 
EINECS 211-884-4 
alpha-Chloro-3-trifluoromethyltoluene 
PubChem4698 
ACMC-209of1 
AC1L2CI5 
3-(Trifluoromethyl)benzyl chloride 
AC1Q3U9F 
AC1Q4J7S 
KSC491M1J 
SCHEMBL121048 
3-chloromethyl benzotrifluoride 
3-Trifiuoromethylbenzylchloride 
3-trifluormethylbenzyl chloride 
m-Xylene, alpha'-chloro-alpha,alpha,alpha-trifluoro- 
DTXSID0061036 
3-trifluoromethyl benzyl chloride 
1-(Chloromethyl)-3-(trifluoromethyl)benzene 
3-trifluoromethyl-benzyl chloride 
CTK3J1614 
XGASTRVQNVVYIZ-UHFFFAOYSA- 
3-(Trifluoromethyl)benzylchloride 
NSC5227 
3-(triflouromethyl)benzyl chloride 
ZINC159224 
3-(Trifluoromethtyl)benzyl chloride 
ACT13265 
JRD-0235 
3-Trifluoromethylbenzyl chloride 
NSC-5227 
a'-Chloro-a,a,a-trifluoro-m-xylene 
ANW-35915 
KM1352 
SBB040678 
STL183296 
WT1822 
3-trifluoromethylphenylmethyl chloride 
m-Xylene,.alpha.,.alpha.-trifluoro- 
AKOS000120902 
3-(Chloromethyl)benzotrifluoride 
AC-9764 
AM62177 
KF10014 
MCULE-5324473110 
RL04703 
RTC-062399 
TRA0078162 
3-(Trifluoromethyl)benzyl chloride 98% 
3-(Trifluoromethyl)benzyl chloride, 97% 
AJ-15478 
m-Trifluoromethylbenzyl chloride 
AN-47354 
BR-53661 
CJ-01877 
SC-78609 
ZB007216 
DB-021774 
ST2415083 
TC-062399 
TL8004976 
705-29-3 3-trifluoromethylbenzyl chloride 
3-Chloromethyl-benzotrifluoride 
FT-0613938 
ST50214171 
X2208 
KS-00001152 
A22554 
alpha'-chloro-alpha alpha alpha-trifluoro-m-xylene 
alpha,alpha,alpha-Trifluoro-alpha'-chloro-m-xylene 
.alpha.'-Chloro-.alpha.,.alpha.-trifluoro-m-xylene 
W-104551 
BETA'-CHLORO-BETA,BETA,BETA-TRIFLUORO-M-XYLENE 
Benzene, 1-(chloromethyl)-3-(trifluoromethyl)- 
F2190-0265 
m-Xylene, .alpha.'-chloro-.alpha.,.alpha.,.alpha.-trifluoro- 
1-(chloromethyl)-3-(trifluoromethyl)-benzen;alpha-Chloro-3-trifluoromethyltoluene 
InChI=1/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2 
C8H6ClF3 
C8-H6-Cl-F3 
CID69716 
AR-1J1106 
T2290 
3-(Trifluoromethyl)benzyl chloride, 98% - 100G 100g 
Literature

Title: Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.

Journal: Journal of combinatorial chemistry 20090112

Title: Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.

Journal: Journal of combinatorial chemistry 20090112

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