ChemicalBook > CAS DataBase List > 3-Nitrobenzaldehyde

3-Nitrobenzaldehyde

Product Name
3-Nitrobenzaldehyde
CAS No.
99-61-6
Chemical Name
3-Nitrobenzaldehyde
Synonyms
META NITRO BENZALDEHYDE;M-Nitrobenzldehyde;5-Nitrobenzaldehyde;M-NITROBENZALDEHYDE;3-NitrobenzaL;AKOS BBS-00003197;3-NITROBENZALDEHYDE;3-nitro-benzaldehyd;3-Nitrobenzaldehyle;m-nitro-benzaldehyd
CBNumber
CB7101540
Molecular Formula
C7H5NO3
Formula Weight
151.12
MOL File
99-61-6.mol
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3-Nitrobenzaldehyde Property

Melting point:
56 °C
Boiling point:
285-290 °C
Density 
1.2792
vapor density 
5.21 (vs air)
refractive index 
1.5800 (estimate)
Flash point:
164°C/23mm
storage temp. 
Store below +30°C.
solubility 
1.6g/l
form 
Granular Powder
color 
Yellow to yellow-brown
Water Solubility 
Slightly soluble in water.
Sensitive 
Air Sensitive
Merck 
14,6587
BRN 
386795
LogP
1.47
CAS DataBase Reference
99-61-6(CAS DataBase Reference)
NIST Chemistry Reference
Benzaldehyde, 3-nitro-(99-61-6)
EPA Substance Registry System
Benzaldehyde, 3-nitro- (99-61-6)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38-51/53-22
Safety Statements 
26-36-24/25-61-37/39-29
RIDADR 
UN3077
WGK Germany 
3
RTECS 
CU7250000
Hazard Note 
Irritant
TSCA 
Yes
HS Code 
29130000
Toxicity
LD50 orally in Rabbit: 1075 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P273Avoid release to the environment.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P391Collect spillage. Hazardous to the aquatic environment

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
N10845
Product name
3-Nitrobenzaldehyde
Purity
ReagentPlus , 99%
Packaging
5g
Price
$60.5
Updated
2024/03/01
Sigma-Aldrich
Product number
N10845
Product name
3-Nitrobenzaldehyde
Purity
ReagentPlus , 99%
Packaging
100g
Price
$70.6
Updated
2024/03/01
Sigma-Aldrich
Product number
8.06765
Product name
3-Nitrobenzaldehyde
Purity
for synthesis
Packaging
5G
Price
$31.2
Updated
2022/05/15
Sigma-Aldrich
Product number
8.06765
Product name
3-Nitrobenzaldehyde
Purity
for synthesis
Packaging
250g
Price
$89.4
Updated
2022/05/15
TCI Chemical
Product number
N0129
Product name
3-Nitrobenzaldehyde
Purity
>98.0%(GC)
Packaging
25g
Price
$40
Updated
2024/03/01
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3-Nitrobenzaldehyde Chemical Properties,Usage,Production

Description

3-Nitrobenzaldehyde, meta-nitrobenzaldehyde or m-nitrobenzaldehyde is an organic aromatic compound containing a nitro group meta-substituted to an aldehyde. 3-Nitrobenzaldehyde is the primary product obtained via the mono-nitration of benzaldehyde with nitric acid.

Chemical Properties

yellowish to yellow-brown granular powder

Uses

3-Nitrobenzaldehyde is used in the synthesis of other organic compounds, ranging from pharmaceuticals to plastic additives and intermediate for the processing of perfume and flavoring compounds and in the preparation of certain aniline dyes.

Uses

3-Nitrobenzaldehyde is a benzaldhyde with a nitro group in the meta position.

Preparation

89 mL (1.7 mol) concentrated H2SO4 are filled in a 500 mL three-neck flask equipped with an internal thermometer and an addition funnel with pressure balance. Whilst cooling with an ice bath 45 mL (0.95 mol) fuming HNO3 are added carefully under stirring, the temperature must not exceed 10 °C. To this nitrating acid, 10.6 g (10.2 mL, 100 mmol) benzaldehyde are added under further cooling so that the temperature can be constantly kept at 15 °C (about 1 hour). The ice bath is removed and the reaction mixture is stored over night at room temperature.
The reaction mixture is poured in a 1 L beaker on 500 g crunched ice, the yellow precipitation is sucked off at 16 hPa over a Buechner funnel and washed with 200 mL of cold water. Crude yield (humid): 14.4 g
The humid crude product is dissolved in 125 mL tert-butyl methyl ether and then shaken out with 125 mL of a 5% NaHCO3 solution. The organic phase is dried over sodium sulfate, filtered and the solvent evaporated at a rotary evaporator. The residue is recrystallized from toluene / petroleumether (60-80 °C) by dissolving it in toluene whilst heating and then adding the double amount of petroleum ether in portions under ice cooling. The crystalllized light yellow 3-nitrobenzaldehyde is sucked off over a Buechner funnel. The product is dried over silica gel in an evacuated desiccator.
Yield: 8.0 g (53 mmol, 53%); mp 56 °C

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 3, p. 644, 1955
Tetrahedron Letters, 28, p. 1195, 1987 DOI: 10.1016/S0040-4039(00)95324-3

Purification Methods

Crystallise the aldehyde from water or EtOH/water, then sublime it twice at 2mm pressure at a temperature slightly above its melting point. [Beilstein 7 IV 591.]

3-Nitrobenzaldehyde Preparation Products And Raw materials

Raw materials

Benzoyl peroxide Nitro N-Bromosuccinimide Ethanol Carbon tetrachloride Benzaldehyde Ethyl acetate Nitric acid Dichloromethane 3-Nitrotoluene PETROLEUM ETHER Sulfuric acid Potassium nitrate

Preparation Products

3-Chlorobenzaldehyde Iopanoic acid Nimodipine 3-(3-Nitrophenyl)propionic acid Nitrendipine 3-Nitrocinnamic acid Nicardipine ALPHA-ETHYL-3-NITROCINNAMIC ACID 2-CHLOROETHYL-2-ACETYL-2-((3-NITROPHENYL)METHYLENE)ACETATE 3-Aminobenzaldehyde 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid 2-(m-aminobenzyl)butyric acid 3-Hydroxybenzaldehyde 3-Nitrobenzyl alcohol
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View Lastest Price from 3-Nitrobenzaldehyde manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
3-Nitrobenzaldehyde 99-61-6
Price
US $75.00-20.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-05-30
WUHAN FORTUNA CHEMICAL CO., LTD
Product
3-Nitrobenzaldehyde 99-61-6
Price
US $0.00/KG
Min. Order
1KG
Purity
98%min
Supply Ability
30tons/month
Release date
2023-01-30
Jinan Finer Chemical Co., Ltd
Product
3-Nitrobenzaldehyde 99-61-6
Price
US $0.00/Kg/Drum
Min. Order
1KG
Purity
99%
Supply Ability
200mt/year
Release date
2021-08-03

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