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3,4,5-Trichlorocatechol

CAT: 0572-TRC-T773925-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T773925-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56961-20-7
Synonyms
1,2-Benzenediol, 3,4,5-trichloro-; 3,4,5-Trichloro-1,2-benzenediol; 3,4,5-Trichloro-2-hydroxyphenol; 3,4,5-Trichlorocatechol; 3,4,5-Trichloropyrocatechol
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1cc(Cl)c(Cl)c(Cl)c1O
Molecular Formula
C6 H3 Cl3 O2
Molecular Weight
213.45
InChI
InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
Additionnal Information
IUPAC name: 3,4,5-trichlorobenzene-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,4,5-Trichlorocatechol
CAS Number56961-20-7
PubChem CID32816
IUPAC Name3,4,5-trichlorobenzene-1,2-diol
Molecular FormulaC6H3Cl3O2
Molecular Weight213.4
XLogP3.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)O)O
InChI
InChI=1S/C6H3Cl3O2/c7-2-1-3(10)6(11)5(9)4(2)8/h1,10-11H
InChIKey
FUTDYIMYZIMPBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trichlorocatechol
CAS: 56961-20-7
CID: 32816
Formula: C6H3Cl3O2
MW: 213.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass211.919862
Monoisotopic Mass211.919862
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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Alternative Products

CatalogName
RM-C030503-013,4,5-Trichlorocatechol
RM-C030519-013,4,6-Trichlorocatechol
PC54333,3,4,4,5,5,5-Heptafluoropentanal
FH146375-013,3'4,4'5,5'-Hexabromobiphenyl
427188-013,4,5,3',4',5'-Hexabromobiphenyl
AR-B07324-013,3',4,4',5,5'-Hexabromodiphenyl
1598712,3,3',4,4',5,5'-Heptabromobiphenyl
PBA63531-012,3,3',4,4',5,5'-Heptachlorobiphenyl
433578-014,4'-Diamino-3,3',5,5'-tetrabromobiphenyl
RG-A262637-012,3,3',4,4',5,5'- Heptabromobiphenyl

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