CAS No.3011-34-5,4-Hydroxy-3-nitrobenzaldehyde Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3011-34-5
Name:	4-Hydroxy-3-nitrobenzaldehyde
Article Data:	60

Formula:	C₇H₅NO₄
Molecular Weight:	167.121
Synonyms:	Benzaldehyde, 4-hydroxy-3-nitro-;NSC 138267;AC1L2BHN;4-Formyl-2-nitrophenol;4-Formyl-2-nitro-phenolate;
EINECS:	221-141-6
Density:	1.5 g/cm³
Melting Point:	139-144 °C
Boiling Point:	275 °C at 760 mmHg
Flash Point:	124.3 °C
Appearance:	Yellow-brown to brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-24/25
PSA:	83.12000
LogP:	1.63610

Synthetic route

: 123-08-0
4-hydroxy-benzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With dinitrogen tetraoxide; ferric nitrate In acetone for 2.5h; Ambient temperature;	100%
With magnesium(II) nitrate hexahydrate; AMA at 20℃; for 0.583333h; Neat (no solvent); regioselective reaction;	98%
With tetrachlorosilane; silica gel; sodium nitrite In dichloromethane at 20℃; for 1.5h;	97%

: 41833-13-0
4-hydroxymethyl-2-nitrophenol

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With manganese(II) nitrate hexahydrate; copper(II) nitrate trihydrate; acetic acid In α,α,α-trifluorotoluene at 50℃; for 2h; In air; chemoselective reaction;	91%
With potassium hydroxide; permanganate(VII) ion at 90 - 100℃;

: 119-33-5
4-methyl-2-nitrophenol

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide In ethylene glycol at 80℃; under 760.051 Torr; for 8h;	87%
With oxygen; sodium hydroxide In 2-methoxy-ethanol at 80℃; for 7h; chemoselective reaction;

: 123-08-0
4-hydroxy-benzaldehyde

A: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

B: 90151-04-5
4-hydroxy-2-nitrobenzaldehyde

Conditions

Conditions	Yield
With Nitrogen dioxide under 225.02 Torr; for 12h;	A 77% B 17%

: 42564-51-2
4-fluoro-3-nitrobenzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With 4a,9a-dihydro-9,9-dimethyl-4,5-bis(diphenylphosphino)-xanthene; 4-methoxyphenylboronic acid; tetrabutylammomium bromide; palladium diacetate; caesium carbonate In 1,2-dimethoxyethane at 70℃; for 48h; Suzuki-Miyaura Coupling; Inert atmosphere;	75%
With sodium hydroxide; N,N-dimethyl-formamide anschliessendes Behandeln mit Saeure;

: 501-36-0
(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol

A: (E)-3,4',5-trihydroxy-α-nitrostilbene

: rac-(2RS,3RS)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-5-carbaldehyde

C: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

D: 123-08-0
4-hydroxy-benzaldehyde

Conditions

Conditions	Yield
With phosphate buffer; sodium nitrite In methanol at 20℃; for 3h; pH=3.0; Further byproducts given;	A 4% B 2% C 1% D 4%

...Expand

: 163596-75-6
4-bromo-3-nitrobenzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With sodium carbonate

: 51818-98-5
4-acetamido-3-nitrobenzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With sodium hydroxide

: 127-08-2
potassium acetate

: 16588-34-4
4-chloro-3-nitro-benzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
at 150℃;
at 150℃;

: 16588-34-4
4-chloro-3-nitro-benzaldehyde

: 3011-34-5
4-hydroxy-3-nitrobenzaldehyde

Conditions

Conditions	Yield
With potassium hydroxide
With potassium acetate at 140 - 150℃;
With sodium carbonate at 140 - 150℃;

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Specification

The 4-Hydroxy-3-nitrobenzaldehyde with CAS registry number of 3011-34-5 is also known as 4-Formyl-2-nitro-phenolate. The IUPAC name and product name are the same. It belongs to product categories of Alcohols and Derivatives; Carbonyl Compounds; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C7; Carbonyl Compounds. Its EINECS registry number is 221-141-6. In addition, the formula is C₇H₅NO₄ and the molecular weight is 167.12. This chemical is a yellow-brown to brown powder and should be stored in sealed containers in cool and dry place.

Physical properties about 4-Hydroxy-3-nitrobenzaldehyde are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 1.38; (3)ACD/LogD (pH 7.4): -0.34; (4)ACD/BCF (pH 5.5): 4.63; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 69.27; (7)ACD/KOC (pH 7.4): 1.34; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.43 cm³; (13)Molar Volume: 111.3 cm³; (14)Surface Tension: 70.5 dyne/cm; (15)Density: 1.5 g/cm³; (16)Flash Point: 124.3 °C; (17)Enthalpy of Vaporization: 53.4 kJ/mol; (18)Boiling Point: 275 °C at 760 mmHg; (19)Vapour Pressure: 0.00312 mmHg at 25 °C.

Preparation of 4-Hydroxy-3-nitrobenzaldehyde. Dropping 24 g p-hydroxybenzaldehyde into acetic acid under stirring for 1 hour. Then the reaction mixture is cooled, filtrated and the filter cake is washed by ice water. At last, product is obtained by recrystallization of ethanol and the yield is about 61%.

Uses of 4-Hydroxy-3-nitrobenzaldehyde: it is used as intermediate of medicine, pesticide and dye. It is also used to produce 2,6-di-(2'-nitro-4'-formylphenoxymethyl)pyridine by reaction with 2,6-bis-chloromethyl-pyridine. The reaction occurs with reagent K₂CO₃ and solvent dimethylformamide at 90-95 °C. The yield is about 70.5%.

4-Hydroxy-3-nitrobenzaldehyde is used to produce 2,6-di-(2'-nitro-4'-formylphenoxymethyl)pyridine by reaction with 2,6-bis-chloromethyl-pyridine.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. Avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
2. InChI: InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
3. InChIKey: YTHJCZRFJGXPTL-UHFFFAOYSA-N