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4-Nitrobenzaldehyde

4-Nitrobenzaldehyde structure

CAS No:
555-16-8
Formula:
C7H5NO3
Chemical Name:
4-Nitrobenzaldehyde
Synonyms:
Benzaldehyde,4-nitro-;Benzaldehyde,p-nitro-;4-Nitrobenzaldehyde;p-Nitrobenzaldehyde;p-Formylnitrobenzene;4-Formylnitrobenzene;NSC 6103;4-Nitrobenzenecarboxaldehyde
Categories:
Organic Chemistry > Aldehydes

Description

YELLOW TO BROWN CRYSTALLINE POWDER

4-Nitrobenzaldehyde is an organic aromatic compound containing a nitro group para-substituted to an aldehyde.

4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes.

4-Nitrobenzaldehyde Basic Attributes

Molecular Weight：

151.12

Exact Mass：

151.12

BRN：

386796

EC Number：

209-084-5

UNII：

NX859P8MB0

NSC Number：

6103

DSSTox ID：

DTXSID5022061

HScode：

2913000090

Characteristics

PSA：

62.9

XLogP3：

1.6

Appearance：

Yellow to brown Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

107 °C

Boiling Point：

50 °C @ Press: 0.2 Torr

Flash Point：

155.2±15.4 °C

Refractive Index：

1.618

Water Solubility：

soluble in water, ethanol, benzene, glacial acetic acid. Slightly soluble in ether.

Storage Conditions：

Store below +30°C.

Toxicity：

LD50 orally in Rabbit: 4700 mg/kg LD50 dermal Rat 16000 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36-43-52/53-36/37/38-68

safety instructions：

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

RTECS Number：

CU7350000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H317-H319

GHS Classification：

|Warning|H315 (35.38%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 65 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-nitrobenzaldehyde

4-Nitrobenzaldehyde Use and Manufacturing

Methods of Manufacturing

It is obtained by oxidation and hydrolysis with p-nitrotoluene and acetic anhydride as raw materials.

Uses

Inspection of aromatic primary amines (based on the melting point of the condensate formed by the primary amine and this product), organic synthesis. This product is an intermediate for organic synthesis of dyes, medicines, etc., and is used to produce p-nitrophenylbutenone (chloramphenicol) in the pharmaceutical industry.

Manufacturing Info：

Benzaldehyde, 4-nitro-: ACTIVE

Computed Properties

Molecular Weight:151.12
XLogP3:1.6
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:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

58908-08-0

110654-63-2

26378-36-9

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