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Merck
CN

430749

Sigma-Aldrich

Pyrocatechol

≥99.5%, purified by sublimation

Synonym(s):

1,2-Benzenediol, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, Catechol

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About This Item

Linear Formula:
C6H4-1,2-(OH)2
CAS Number:
120-80-9
Molecular Weight:
110.11
Beilstein:
471401
EC Number:
204-427-5
MDL number:
MFCD00002188
UNSPSC Code:
12352100
PubChem Substance ID:
57650141
NACRES:
NA.21

Key Documents

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Product Name

Pyrocatechol, purified by sublimation, ≥99.5%

material

white

Quality Level

100

vapor density

3.8 (vs air)

vapor pressure

1 mmHg ( 75 °C)
10 mmHg ( 118.3 °C)

Assay

≥99.5%

purified by

sublimation

bp

245 °C (lit.)

mp

100-103 °C (lit.)

SMILES string

Oc1ccccc1O

InChI

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

InChI key

YCIMNLLNPGFGHC-UHFFFAOYSA-N

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Application

Pyrocatechol may be used in the synthesis of micro-mesoporous carbon aerogels.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Carc. 1B - Eye Dam. 1 - Muta. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

260.6 °F - closed cup

Flash Point(C)

127 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
0000231371
0000219405
0000231371
0000219405
MKBZ2550V

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Adsorbate-induced modification of surface electronic structure: pyrocatechol adsorption on the anatase TiO2 (101) and rutile TiO2 (110) surfaces.
Syres KL, et al.
The Journal of Physical Chemistry C, 116(44), 23515-23525 (2012)
Surface characteristics and electrochemical capacitances of carbon aerogels obtained from resorcinol and pyrocatechol using boric and oxalic acids as polymerization catalysts.
Moreno-Castilla C, et al.
Carbon, 49(12), 3808-3819 (2011)
Eagleson M.
Concise Encyclopedia Chemistry, 915-915 (1994)
Jacques Poupaert et al.
Current medicinal chemistry, 12(7), 877-885 (2005-04-28)
The 2(3H)-benzoxazolone heterocycle and its bioisosteric surrogates (such as 2(3H)-benzothiazolinone, benzoxazinone, etc.) have received considerable attention from the medicinal chemists owing to their capacity to mimic a phenol or a catechol moiety in a metabolically stable template. These heterocycles and
R Zand et al.
Clinical pharmacology and therapeutics, 54(2), 142-149 (1993-08-01)
We studied the effect of isoniazid administration on the cytochrome P4502E1-catalyzed elimination of chlorzoxazone and acetaminophen. Isoniazid, 300 mg daily, was administered for 7 days to a group of 10 volunteer slow acetylators. Acetaminophen, 500 mg, and chlorzoxazone, 750 mg
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