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1,2,4-Trichlorobenzene

CAT: 0572-TRC-T774220-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T774220-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-82-1
Synonyms
Benzene, 1,2,4-trichloro-; 1,2,4-Trichlorobenzene; 1,2,4-Trichlorobenzol; 1,2,5-Trichlorobenzene; 1,3,4-Trichlorobenzene; Hostetex L-PEC; NSC 406697; unsym-Trichlorobenzene
Hazard Statement
Harmful if swallowed; UN number: UN2321; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1ccc(Cl)c(Cl)c1
Molecular Formula
C6 H3 Cl3
Molecular Weight
181.45
InChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
Additionnal Information
IUPAC name: 1,2,4-trichlorobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,4-Trichlorobenzene

1,2,4-trichlorobenzene is a trichlorobenzene with chloro substituents at positions 1, 2 and 4.

CAS Number120-82-1
PubChem CID13
IUPAC Name1,2,4-trichlorobenzene
Molecular FormulaC6H3Cl3
Molecular Weight181.4
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
C1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Trichlorobenzene
CAS: 120-82-1
CID: 13
Formula: C6H3Cl3
MW: 181.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass179.930033
Monoisotopic Mass179.930033
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.3
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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