ChemicalBook > CAS DataBase List > 3-Nitro-4,5-dihydroxybenzaldehyde

3-Nitro-4,5-dihydroxybenzaldehyde

Product Name: 3-Nitro-4,5-dihydroxybenzaldehyde
CAS No.: 116313-85-0
Chemical Name: 3-Nitro-4,5-dihydroxybenzaldehyde
Synonyms: 3,4-DIHYDROXY-5-NITROBENZALDEHYDE;3,4-Dihydroxy-5-Nitro Benzyaldehyde;Entacapone EP IMpurity C;3,4-Dihydroxy-5-Nitrobenzaldeh;4-Dihydroxy-5-nitrobenzaldehyde;3,4-Dihydro-5-nitrobenzaldehyde;3,4-dihydroxy-5-nitro-benzaldehyd;3,4-Dihydroxy-5-nitrobenzaldehdye;3-NITRO-4,5-DIHYDROXYBENZALDEHYDE;5-NITRO-3,4-DIHYDROXYBENZALDEHYDE
CBNumber: CB8206127
Molecular Formula: C7H5NO5
Formula Weight: 183.12
MOL File: 116313-85-0.mol

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3-Nitro-4,5-dihydroxybenzaldehyde Property

Melting point:: 147 °C
Boiling point:: 310.9±42.0 °C(Predicted)
Density: 1.667±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO
form: Solid
pka: 4.78±0.38(Predicted)
color: Dark Yellow
InChI: InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H
InChIKey: BBFJODMCHICIAA-UHFFFAOYSA-N
SMILES: C(=O)C1=CC([N+]([O-])=O)=C(O)C(O)=C1
CAS DataBase Reference: 116313-85-0(CAS DataBase Reference)

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Safety

Hazard Codes: T
Risk Statements: 25-36-43
Safety Statements: 26-36/37-45
RTECS: CU5665000
HS Code: 2912.49.2600
Toxicity: mouse,LDLo,oral,312mg/kg (312mg/kg),Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: D3645
Product name: 3,4-Dihydroxy-5-nitrobenzaldehyde
Purity: >98.0%(GC)
Packaging: 25g
Price: $159
Updated: 2025/07/31

TRC

Product number: D453650
Product name: 3,4-Dihydroxy-5-nitrobenzaldehyde
Packaging: 10g
Price: $95
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FD22089
Product name: 3,4-Dihydroxy-5-nitrobenzaldehyde
Packaging: 250g
Price: $125
Updated: 2021/12/16

AK Scientific

Product number: G731
Product name: 3,4-Dihydroxy-5-nitrobenzaldehyde
Packaging: 100g
Price: $134
Updated: 2021/12/16

AK Scientific

Product number: J94166
Product name: 3,4-Dihydroxy-5-nitrobenzaldehyde
Packaging: 1g
Price: $10
Updated: 2021/12/16

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3-Nitro-4,5-dihydroxybenzaldehyde Chemical Properties,Usage,Production

Chemical Properties

Dark Yellow Solid

Uses

3,4-Dihydroxy-5-nitrobenzaldehyde (Entacapone EP Impurity C) is an Entacapone (E558500) impurity.

Uses

Entacapone (E558500) impurity.

Synthesis

6635-20-7

116313-85-0

The general procedure for the synthesis of 3,4-dihydroxy-5-nitrobenzaldehyde from 5-nitrovanillin was as follows: iodine (2.095 g), aluminum powder (0.368 g) and acetonitrile (40 mL) were added to a 100 mL aubergine flask, heated to reflux, and stirred for 2 hr until the violet-red color of the iodine disappeared completely. Subsequently, pyridine (1.597 g) and 5-nitrovanillin (0.986 g) were added and the reaction was continued for 18 hours. After completion of the reaction, the mixture was cooled to room temperature and then acidified by adding 2 mol/L dilute hydrochloric acid (10 mL) to the reaction solution. The reaction mixture was extracted with ethyl acetate (50 mL x 3), the organic phases were combined and dried with anhydrous sodium sulfate. The filtrate was concentrated to dryness by rotary evaporator to remove the solvent. Finally, the residue was purified by fast column chromatography (mobile phase of ethyl acetate to petroleum ether 1:3, v/v) to afford the target product 3,4-dihydroxy-5-nitrobenzaldehyde (yellow solid, 0.650 g, 71% yield).

References

[1] Journal of Medicinal Chemistry, 2018, vol. 61, # 5, p. 1969 - 1989
[2] Journal of Organic Chemistry, 2000, vol. 65, # 23, p. 8001 - 8010
[3] Journal of the American Chemical Society, 2000, vol. 122, # 44, p. 10781 - 10787
[4] Organic Letters, 2008, vol. 10, # 7, p. 1369 - 1372
[5] Patent: WO2016/199943, 2016, A1. Location in patent: Paragraph 0402

3-Nitro-4,5-dihydroxybenzaldehyde Preparation Products And Raw materials

Raw materials

Preparation Products

Entacapone

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View Lastest Price from 3-Nitro-4,5-dihydroxybenzaldehyde manufacturers

Qingdao RENAS Polymer Material Co., Ltd.

Product: 3,4-DIHYDROXY-5-NITROBENZALDEHYDE 116313-85-0
Price: US $0.00/kg
Min. Order: 20kg
Purity: 99%
Supply Ability: 20 tons
Release date: 2024-10-15

Career Henan Chemical Co

Product: 3-Nitro-4,5-dihydroxybenzaldehyde 116313-85-0
Price: US $1.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: Customized
Release date: 2018-12-22

116313-85-0, 3-Nitro-4,5-dihydroxybenzaldehydeRelated Search:

2,4-Dimethylbenzaldehyde Solvent Red 43 3-Nitrobenzaldehyde Protocatechualdehyde 3,4-Dimethylbenzaldehyde 4-Hydroxybenzaldehyde 3-Hydroxybenzaldehyde 4-Nitrobenzaldehyde 2,4-Dihydroxybenzaldehyde Entacapone EP IMpurity B Entacapone EP Impurity G 3,4-Dihydroxy-5-Nitrobenzoic Acid (E/Z)-3-O-Methyl Entacapone (alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N,N-diethyl-, (2E)- TYRPHOSTIN AG 1290 Entacapone Impurity 13

3,4-dihydroxy-5-nitro-benzaldehyd

3,4-DIHYDROXY-5-NITROBENZALDEHYDE,SPECIFICATION: >98.5%(HPLC UV)

3,4-DIHYDROXY-5-NITROBENZALDEHYDE

3-NITRO-4,5-DIHYDROXYBENZALDEHYDE

3,4-Dihydroxy-5-nitrobenzaldehdye

3,4-Dihydroxy-5-Nitrobenzaldeh

Entacapone Impurity 3（Entacapone EP Impurity C）

5-NITRO-3,4-DIHYDROXYBENZALDEHYDE

4-Dihydroxy-5-nitrobenzaldehyde

Entacapone EP IMpurity C

3,4-Dihydroxy-5-Nitro Benzyaldehyde

Entacapone Impurity 19(Entacapone EP Impurity C)

3,4-Dihydroxy-5-nitrobenzaldehyde &gt

Benzaldehyde, 3,4-dihydroxy-5-nitro-

Entacapone Impurity 3（Entacapone EP Impurity A）

3,4-Dihydroxy-5-nitro benzaldehydeQ: What is 3,4-Dihydroxy-5-nitro benzaldehyde Q: What is the CAS Number of 3,4-Dihydroxy-5-nitro benzaldehyde Q: What is the storage condition of 3,4-Dihydroxy-5-nitro benzaldehyde Q: What are the applications of 3,4-Dihydroxy-5-nitro benzaldehyde

TIANFU-CHEM 116313-85-0 3-Nitro-4,5-dihydroxybenzaldehyde

3,4-Dihydroxy-5-Nitro Benzaldehyde pure, 98%

Entacapone EP Impurity C(Mixtures of tautomers)

3,4-Dihydro-5-nitrobenzaldehyde

3,4-dihydroxy 5-nitro benzaldehyde / Entacapone EP Impurity-C

116313-85-0

11613-85-0

Aromatics

Impurities

Intermediates & Fine Chemicals

Pharmaceuticals

pharmaceutical intermediates

Benzaldehyde

Aromatic Aldehydes & Derivatives (substituted)