1,2,3-Trichlorobenzene

CAT: 0063-69768295-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-69768295-100gSize:100 g

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CAS Number

87-61-6

Molecular Formula

C6H3Cl3

Molecular Weight

181.45

Formulation

C6H3Cl3

Chemical Information

1,2,3-Trichlorobenzene

1,2,3-trichlorobenzene is a trichlorobenzene carrying chloro substituents at positions 1, 2 and 3.

CAS Number	87-61-6
PubChem CID	6895
IUPAC Name	1,2,3-trichlorobenzene
Molecular Formula	C6H3Cl3
Molecular Weight	181.4
XLogP	4.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	84

SMILES

C1=CC(=C(C(=C1)Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey

RELMFMZEBKVZJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87-61-6

CID: 6895

Formula: C6H3Cl3

MW: 181.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.4
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	179.930033
Monoisotopic Mass	179.930033
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	84.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-T773805-50G	1,2,3-Trichlorobenzene
T19265-01	1,2,3-Trichlorobenzene 97%
TRC-B688538-500MG	5-Bromo-1,2,3-trichlorobenzene
OR1090417-01	1- (benzyloxy) -2,3,4-trichlorobenzene
sc-265445	2-Bromo-1,3,5-trichlorobenzene
OR1099929	2- (Benzyloxy) -1,3,5-trichlorobenzene
sc-504307	1-Bromo-2,3,4-trichlorobenzene
290735-01	1,3,5-Trichlorobenzene
OR1029064-01	1-Bromo-2,3,5-Trichlorobenzene
sc-297653	1- (Bromomethyl) -2,3,5-trichlorobenzene