CAS No.555-16-8,4-Nitrobenzaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	555-16-8
Name:	4-Nitrobenzaldehyde
Article Data:	1145
Cas Database

Formula:	C₇H₅NO₃
Molecular Weight:	153.137
Synonyms:	CPD-703;Benzaldehyde, 4-nitro-;p-Nitrobenzaldehyde;Benzaldehyde, p-nitro-;p-Formylnitrobenzene;P-Nitro-benzaldehyde;
EINECS:	209-084-5
Density:	1.338 g/cm³
Melting Point:	103-106 °C(lit.)
Boiling Point:	299.6 °C at 760 mmHg
Flash Point:	155.2 °C
Solubility:	103-106 °C(lit.)
Appearance:	Yellow to brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36-43-52/53-36/37/38-68
Safety:	26-36/37-61-24/25-36/37/39-36
Transport Information:	N/A
PSA:	62.89000
LogP:	1.93050

Synthetic route

: 619-73-8
4-nitrobenzyl chloride

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 1.5h; Ambient temperature;	100%
With pyridine chromium peroxide In benzene for 0.2h; Heating;	100%
With tert.-butylhydroperoxide; polystyrene-bound phenylselenic acid In tetrachloromethane for 5h; Heating;	100%

: 2929-91-1
4-nitrobenzylidene diacetate

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With [NO(1+)18-crown-6H(NO3)2(1-)]; silica gel In dichloromethane at 20℃; for 0.0833333h;	100%
With sulphated zirconia In acetonitrile at 60℃; for 0.6h; Microwave irradiation;	100%
With beta zeolite modified with chlorosulphonic acid (28 wtpercent) In ethanol at 50℃; for 0.5h;	100%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; dimethyl selenoxide In acetonitrile for 5h; Heating;	100%
With 2-dimethylamino-N,N-dimethylaniline N-oxide In acetonitrile at 25℃; for 24h; Oxidation;	97%
With potassium hydrogencarbonate; dimethyl sulfoxide for 0.0333333h; Microwave irradiation;	97%

: 24588-74-7
4-nitrophenyl-1,3-dithiane

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With silica gel; ferric nitrate In hexane at 50℃; for 0.166667h;	100%
With ferric nitrate Ambient temperature;	98%
With 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane tribromide In methanol; dichloromethane at 20℃; for 0.05h;	98%

: 14856-73-6
4-nitrobenzyl trimethylsilyl ether

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With dinitrogen tetraoxide; ferric nitrate In dichloromethane at 20℃; for 1h; Oxidation;	100%
With nitrogen dioxide at 20℃; for 1h;	100%
With n-butyltriphenylphosphonium peroxodisulfate In acetonitrile for 0.5h; Heating;	97%

: 19706-87-7
4-nitrobenzaldehyde di-n-butyl acetal

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane 0 deg C to RT;	100%
aluminum oxide In gas at 350℃; Yield given;

: 82820-05-1
C15H10N4O4

A: 15988-11-1
4-Phenylurazole

B: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With water for 1080h;	A 100% B 100%

: Sodium; 6-{[1-(4-nitro-phenyl)-meth-(E)-ylidene]-amino}-hexanoate

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With hydrogenchloride for 0.0416667h; Product distribution; Ambient temperature; pH = 4-6, regeneration of aldehyde;	100%

: N,N-Diethyl-4-nitro-selenobenzamide

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 3h;	100%

: 135605-97-9
tert-butyldimethyl-4-nitrobenzyloxysilane

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With dinitrogen tetraoxide; ferric nitrate at 20℃; for 0.5h; Oxidation;	100%
With tetra-N-butylammonium tribromide In acetonitrile at 20℃; for 6h; Irradiation;	98%
With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 5h;	91%

Raw Materials

100-52-7

100-14-1

Downstream Products

619-80-7

636-70-4

586-91-4

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 4-Nitrobenzaldehyde , with the CAS register number 555-16-8, is also known to us as 4-nitrobenzaldehyde;4-formylnitrobenzene;akos bbs-00003206;p-nitrobenzaldehyde;p-formylnitrobenzene;4-nitro-benzaldehyd;benzaldehyde, p-nitro-;benzaldehyde,4-nitro- .

The physical properties of this chemcial are as the following: (1)#H bond acceptors: 4 ; (2)#Freely Rotating Bonds: 2 ; (3)Polar Surface Area: 62.89 ; (4)Index of Refraction: 1.617 ; (5)Molar Refractivity: 39.55 cm³ ; (6)Molar Volume: 112.9 cm³ ; (7)Polarizability: 15.67 ×10^-24 cm³ ; (8)Surface Tension: 55.1 dyne/cm ; (9)Density: 1.338 g/cm³ ; (10)Flash Point: 155.2 °C ; (11)Enthalpy of Vaporization: 53.96 kJ/mol ; (12)Boiling Point: 299.6 °C at 760 mmHg ; (13)Vapour Pressure: 0.00118 mmHg at 25°C .

It is a kind of white or light yellow prismatic crystal and it is sensitive in air. Besides, it is soluble in ethanal,benzene and acetic acid and slightly soluble in water and ethyl ether. And it could sublimate and volatilize with steam.

What's more, it is usually used in being the intermediate of organic synthesis, such as dying and pharmaceutics. And it is usually applied in the medicine industry to produce the nitro benzylidene acetone. As to its product category, it is various, including fine chemical & intermediates;aromatic aldehydes & derivatives (substituted);benzaldehyde;aldehydes;c7;carbonyl compounds;spectroscopy;uv/vis reagents;uv/visible (uv/vis) spectroscopy. If you need the production method, there is a simple way to get it. Prepare the raw material of nitrotoluene and acetic anhydride, and then go through the process of oxidation and hydrolyzation, finally you could obtain 4-nitrobenzaldehyde .

Being an irritant chemical, it is harmful to to eyes, respiratory system and skin, and it may cause sensitisation by skin contact. Besides, it may cause inflammation to the skin or other mucous membranes. What's more, it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it could have possible risk of irreversible effects.

As for its harmful properties, you need to be very cautious while dealing with this kind of chemcial. Firstly, wear suitable protective clothing, gloves and eye/face protection and avoid contact with skin and eyes. Secondly, if in case of contacing with eyes, rinse immediately with plenty of water and seek medical advice. Thirdly, avoid releasing to the environment and refer to special instructions/safety data sheet. If you need more safety information, you could also refer to the WGK Germany 2.

In addition, you could get the molecular structure by converting the following datas:
SMILES:O=[N+]([O-])c1ccc(C=O)cc1
InChI:InChI=1/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChIKey:BXRFQSNOROATLV-UHFFFAOYAO

Below is the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	545mg/kg (545mg/kg)		Hine Laboratories Reports. Vol. AF33(657)-11756, Pg. 1964,
rat	LD50	oral	4700mg/kg (4700mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat	LD50	skin	16gm/kg (16000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BLOOD: NORMOCYTIC ANEMIA	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.