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
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
245.3°C at 760 mmHg
Melting Point
80-84°C
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 |
