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3840-30-0,MFCD00040716
Catalog No.:AA003IC7
3840-30-0 | 3,4,5-Trimethoxybenzyl chloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$39.00   $28.00
- +
5g
95%
in stock  
$82.00   $58.00
- +
25g
98%
in stock  
$172.00   $120.00
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IC7
Chemical Name:
3,4,5-Trimethoxybenzyl chloride
CAS Number:
3840-30-0
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.6614
MDL Number:
MFCD00040716
IUPAC Name:
5-(chloromethyl)-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
InChI Key:
XXRUQNNAKXZSOS-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)cc(c1OC)OC
EC Number:
223-330-9
NSC Number:
100940
Properties
Computed Properties
 
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.661g/mol
Monoisotopic Mass:
216.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,4,5-Trimethoxybenzyl chloride 
3840-30-0 
ACMC-20ang6 
AC1L2T2J 
AC1Q48DY 
AC1Q3U87 
SCHEMBL1706883 
3,4,5 trimethoxybenzyl chloride 
CTK4H9903 
DTXSID60191741 
3,4,5-Trimethoxy-benzyl chloride 
ZINC1662528 
5-(Chloromethyl)-1,2,3-trimethoxybenzene 
ZX-AT017200 
2151AE 
MFCD00040716 
OR8473 
SBB061708 
3,4,5-trimethoxy-alpha-chlorotoluene 
AKOS000261971 
ACM3840300 
BBV-155257 
MCULE-6040766782 
3,4,5-trimethoxybenzylchloride 
NSC-100940 
BP-12583 
CJ-26858 
DB-021833 
TR-015518 
5-(chloromethyl)-1,2,3-trimethoxy-benzene 
FT-0676321 
ST51047693 
5-(Chloromethyl)-1,2,3-trimethoxybenzene # 
Benzene,5-(chloromethyl)-1,2,3-trimethoxy- 
Benzene, 5-(chloromethyl)-1,2,3-trimethoxy- 
840T300 
A824139 
C-54498 
3,4,5-Trimethoxybenzyl chloride, >=98.0% (AT) 
I01-8854 
C10H13ClO3 
5- -1,2,3-trimethoxybenzene 
C10-H13-Cl-O3 
3,4,5-trimethoxy benzoyl chloride 
CID77448 
XXRUQNNAKXZSOS-UHFFFAOYSA-N 
AR-1G5492 
5470-44-0 
3,4,5-trimethoxy benzyl chloride 
W-106487 
EINECS 223-330-9 
NSC100940 
Literature

Title: Triphenyl(3,4,5-trimethoxy-benzyl)-phospho-nium chloride monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

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