2-Nitroresorcinol

Product Information

Molecular Formula:
C6H5NO4
Molecular Weight:
155.11
Description
2-Nitroresorcinol is widely used in the development of pharmaceutical treatments for skin conditions such as acne, psoriasis and eczema because it prevents the proliferation of bacteria on the skin surface, reduces inflammation and promotes the healing process.
Synonyms
2-NITRORESORCINOL; 2-NITRO-1,3-BENZENEDIOL; 1,3-Benzenediol, 2-nitro-; 1,3-Dihydroxy-2-nitrobenzene; 2-Nitro-1,3-dihydroxybenzene; 2-nitro-3-benzenediol; 2-nitro-benzene-1,3-diol; Resorcinol, 2-nitro-
IUPAC Name
2-nitrobenzene-1,3-diol
Canonical SMILES
C1=CC(=C(C(=C1)O)[N+](=O)[O-])O
InChI
InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
InChI Key
ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
Boiling Point
245.3ºC at 760 mmHg
Melting Point
80-84ºC
Flash Point
Not applicable
Purity
>99%
Density
1.58 g/cm3
Appearance
White to Brown Powder
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Pressure
0.0000227 [mmHg]

Safety Information

Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Signal Word
Warning

Computed Properties

XLogP3
1.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
155.02185764 g/mol
Monoisotopic Mass
155.02185764 g/mol
Topological Polar Surface Area
86.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
145
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

Patents

Publication Number Title Priority Date
CN-112220786-A Application of 4-hydroxybenzoxazole-2-ketone 2020-09-14
US-2022062711-A1 Method of making dual core golf ball using novel center plate button and resulting improved golf ball 2020-08-27
WO-2022030531-A1 Curable composition and cured article thereof 2020-08-05
JP-2022029218-A Thermosetting adhesive film, manufacturing method of grinding wheel, and grinding wheel 2020-08-04
CN-111849079-A Irradiation crosslinking low-smoke halogen-free flame-retardant insulated wire 2020-07-30
US-2022016490-A1 Golf ball incorporating functionalized inorganic aluminosilicate ceramic microspheres in at least one core layer 2020-07-07
US-2021379451-A1 Dual core golf ball incorporating a solid spherical inner core component that is immovably centered within three outer core compression moldable parts and method of making same 2020-06-03
JP-2021187940-A A method for producing a phenol resin composition sheet, a phenol resin composition sheet with a release film, a method for producing a B-staged phenol resin composite sheet, a method for producing a cured phenol resin composite sheet, and a method for producing a carbonized phenol resin composite sheet. 2020-05-29
JP-2021187941-A A resin composition sheet, a resin composition sheet with a release film, a method for manufacturing a B-staged resin composite sheet, a method for manufacturing a cured resin composite sheet, and a method for manufacturing a carbonized resin composite sheet. 2020-05-29
JP-2021187942-A A method for producing a phenol resin composition sheet, a phenol resin composition sheet with a release film, a method for producing a B-staged phenol resin composite sheet, a method for producing a cured phenol resin composite sheet, and a method for producing a carbonized phenol resin composite sheet. 2020-05-29

Literatures

PMID Publication Date Title Journal
21217841 2009-03-01 Genotoxic mechanisms for the carcinogenicity of the environmental pollutants and carcinogens o-anisidine and 2-nitroanisole follow from adducts generated by their metabolite N-(2-methoxyphenyl)-hydroxylamine with deoxyguanosine in DNA Interdisciplinary toxicology
21218109 2008-09-01 Oxidation of carcinogenic 2-nitroanisole by rat cytochromes P450 - similarity between human and rat enzymes Interdisciplinary toxicology
18668494 2008-01-01 Optical properties of hybrid dendritic-mesoporous titania nanocomposite films Chemistry (Weinheim an der Bergstrasse, Germany)
17159769 2006-12-01 Oxidative detoxication of carcinogenic 2-nitroanisole by human, rat and rabbit cytochrome P450 Neuro endocrinology letters
16839100 2005-01-13 Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPR The journal of physical chemistry. A
15144223 2004-05-01 Enzymes involved in the metabolism of the carcinogen 2-nitroanisole: evidence for its oxidative detoxication by human cytochromes P450 Chemical research in toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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