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2,6-Dichlorobenzyl Bromide

CAT: 0572-TRC-D432300-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D432300-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20443-98-5
Synonyms
2-(Bromomethyl)-1,3-dichlorobenzene; alpha-Bromo-2,6-dichloro-toluene; 1-Bromomethyl-2,6-dichlorobenzene; 2,6-Dichloro-alpha-bromotoluene; 2,6-Dichlorobenzyl Bromide; 2-(Bromomethyl)-1,3-dichlorobenzene; NSC 93898; alpha-Bromo-2,6-dichlorotoluene;
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN1759; Packing Group: III
Smiles
Clc1cccc(Cl)c1CBr
Molecular Formula
C7H5BrCl2
Molecular Weight
239.92
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Bromomethyl-2,6-dichlorobenzene
CAS Number20443-98-5
PubChem CID30159
IUPAC Name2-(bromomethyl)-1,3-dichlorobenzene
Molecular FormulaC7H5BrCl2
Molecular Weight239.92
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C(=C1)Cl)CBr)Cl
InChI
InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey
PDFGFQUSSYSWNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromomethyl-2,6-dichlorobenzene
CAS: 20443-98-5
CID: 30159
Formula: C7H5BrCl2
MW: 239.92
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.92
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass237.89517
Monoisotopic Mass237.89517
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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