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Methyl 4-nitrobenzoate

Methyl 4-nitrobenzoate structure

CAS No:
619-50-1
Formula:
C8H7NO4
Chemical Name:
Methyl 4-nitrobenzoate
Synonyms:
Benzoic acid,4-nitro-,methyl ester;Benzoic acid,p-nitro-,methyl ester;Methyl p-nitrobenzoate;p-Nitrobenzoic acid methyl ester;Methyl 4-nitrobenzoate;p-Carbomethoxynitrobenzene;4-Methoxycarbonylnitrobenzene;4-Nitrobenzoic acid methyl ester;NSC 4137
Categories:
Chemical Reagents > Organic Reagents

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Description

light yellow to yellow fine crystalline powder

Methyl 4-nitrobenzoate Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

BRN：

1912198

EC Number：

210-599-2

UNII：

NMN8CTH864

NSC Number：

4137

DSSTox ID：

DTXSID3022085

HScode：

29163900

Characteristics

PSA：

72.1

XLogP3：

1.9

Appearance：

Yellow.

Density：

1.3±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

93 °C @ Press: 0.03 Torr

Flash Point：

94-96°C

Refractive Index：

1.554

Water Solubility：

Solubility in methanol is almost transparent.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

DH5775000

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Methyl 4-nitrobenzoate Use and Manufacturing

Methods of Manufacturing

Derived from the esterification of p-nitrobenzoic acid with methanol. The mixture of p-nitrobenzoic acid, methanol and sulfuric acid was heated to reflux for 4h, then poured into ice water to precipitate crystals. Filter, wash with water to remove the acidity, and recrystallize it with methanol and water separately once to obtain the finished product.

Uses

Used as an intermediate in organic synthesis.

Manufacturing Info：

Benzoic acid, 4-nitro-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:181.15
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:72.1
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

4-Nitrobenzoic acid

Methanol

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