Catechol

CAT: 0572-TRC-C215175-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C215175-1GSize:1 g

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CAS Number

120-80-9

Synonyms

Benzene-1,2-diol (Pyrocatechol); Guaiacol Imp. A (EP); Benzene-1,2-diol; Pyrocatechol; 1,2-Benzenediol; 1,2-Dihydroxybenzene; 1,2-Hydroxybenzene; 2-Hydroxyphenol; C.I. 76500; C.I. Oxidation Base 26; Catechol; Catechol (phenol); Durafur Developer C; Fouramine PCH; Fourrine 68; NSC 1573; Oxyphenic acid; Pelagol Grey C; Phthalhydroquinone; Phthalic alcohol; Pyrocatechin; Pyrocatechine; Z 1; Z 1 (inhibitor); o-Benzenediol; o-Dihydroxybenzene; o-Dioxybenzene; o-Hydroquinone; o-Hydroxyphenol; o-Phenylenediol; Guaiacol Impurity A

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Purity

>95% (GC)

Smiles

Oc1ccccc1O

Molecular Formula

C6 H6 O2

Molecular Weight

110.11

InChI

InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Additionnal Information

IUPAC name: benzene-1,2-diol

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Catechol

Catechol can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	120-80-9
PubChem CID	289
IUPAC Name	benzene-1,2-diol
Molecular Formula	C6H6O2
Molecular Weight	110.11
XLogP	0.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	62

SMILES

C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChIKey

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-80-9

CID: 289

Formula: C6H6O2

MW: 110.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	110.036779430
Monoisotopic Mass	110.036779430
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
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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Catechol

Chemical Information

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