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3-Nitrobenzaldehyde

3-Nitrobenzaldehyde structure

CAS No:
99-61-6
Formula:
C7H5NO3
Chemical Name:
3-Nitrobenzaldehyde
Synonyms:
Benzaldehyde,3-nitro-;Benzaldehyde,m-nitro-;3-Nitrobenzaldehyde;m-Nitrobenzaldehyde;5-Nitrobenzaldehyde;NSC 5504;3-Nitrophenylcarboxaldehyde;3-Nitrobenzenecarboxaldehyde
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

yellowish to yellow-brown granular powder

3-Nitrobenzaldehyde Basic Attributes

Molecular Weight：

151.12

Exact Mass：

151.12

BRN：

386795

EC Number：

202-772-6

UNII：

G4O92KO71Z

NSC Number：

5504

DSSTox ID：

DTXSID8049383

HScode：

29130000

Characteristics

PSA：

62.9

XLogP3：

1.5

Appearance：

Yellow to yellow-brown Granular Powder

Density：

1.3±0.1 g/cm3

Melting Point：

58.5 °C

Boiling Point：

164 °C

Flash Point：

164°C/23mm

Refractive Index：

1.618

Water Solubility：

Slightly soluble in water.

Storage Conditions：

-20°C

Vapor Pressure：

0.01 mmHg

Toxicity：

LD50 orally in Rabbit: 1075 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-51/53-22

safety instructions：

26-36-24/25-61-37/39-29

RTECS Number：

CU7250000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (51.06%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 181 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-nitrobenzaldehyde

3-Nitrobenzaldehyde Use and Manufacturing

Methods of Manufacturing

Using benzaldehyde as the raw material, nitrification with potassium nitrate, sodium nitrate or nitric acid in the presence of sulfuric acid can generate m-nitrobenzaldehyde with yields of approximately 80%, 60% and 75%, respectively. Add sulfuric acid to the reaction kettle, add sodium nitrate while stirring, heat to 70 ℃ to dissolve all, cool to 5 ℃, drop benzaldehyde, 5-10 ℃ after the completion of the reaction, 1h, slowly add the reactant to In crushed ice, stir thoroughly to precipitate completely, filter out the precipitate, wash off the acid with sodium carbonate at 10 ℃, filter dry, wash off with alcohol to remove o-nitro compounds, and dry at low temperature under reduced pressure to obtain this product.

Uses

This product is an intermediate for organic synthesis such as medicine, dyes, and surfactants. In the pharmaceutical industry, it is used to synthesize calcium ioproxate, iodopanic acid, meta-hydroxyamine bitartrate, nimodipine, nicardipine, nitrendipine, and nirudidipine. Used in pharmaceutical intermediates; trace analysis of phenols. Organic synthesis intermediates. Used as intermediates for dyes, photosensitive materials and medicines Nitrendipine, Nimodipine and Nicardipine

Manufacturing Info：

Benzaldehyde, 3-nitro-: ACTIVE

Computed Properties

Molecular Weight:151.12
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:151.026943022
Monoisotopic Mass:151.026943022
Topological Polar Surface Area:62.9
Heavy Atom Count:11
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzaldehyde

Chlorine dioxide

Ethyl acetate

Carbon tetrachloride

Ethanol

Sulfuric acid

Nitric acid

PETROLEUM ETHER

Downstream Products

3-Hydroxybenzaldehyde

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