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2,4,5-Trichlorotoluene

CAT: 0572-TRC-T126680-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T126680-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6639-30-1
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (GC)
Smiles
Cc1cc(Cl)c(Cl)cc1Cl
Molecular Formula
C7 H5 Cl3
Molecular Weight
195.47
InChI
InChI=1S/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
Additionnal Information
IUPAC name: 1,2,4-trichloro-5-methylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4,5-Trichlorotoluene
CAS Number6639-30-1
PubChem CID23128
IUPAC Name1,2,4-trichloro-5-methylbenzene
Molecular FormulaC7H5Cl3
Molecular Weight195.5
XLogP4.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity115
SMILES
CC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
InChIKey
ZCXHZKNWIYVQNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichlorotoluene
CAS: 6639-30-1
CID: 23128
Formula: C7H5Cl3
MW: 195.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass193.945683
Monoisotopic Mass193.945683
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity115
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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