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Methyl 3-nitrobenzoate

Methyl 3-nitrobenzoate structure

CAS No:
618-95-1
Formula:
C8H7NO4
Chemical Name:
Methyl 3-nitrobenzoate
Synonyms:
Benzoic acid,3-nitro-,methyl ester;Benzoic acid,m-nitro-,methyl ester;Methyl m-nitrobenzoate;Methyl 3-nitrobenzoate;m-Carbomethoxynitrobenzene;3-Methoxycarbonyl-1-nitrobenzene;m-Nitrobenzoic acid methyl ester;3-Nitrobenzoic acid methyl ester;NSC 1327
Categories:
Chemical Reagents > Organic Reagents

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Description

beige crystalline powder

Methyl 3-nitrobenzoate Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

BRN：

392449

EC Number：

210-573-0

NSC Number：

1327

DSSTox ID：

DTXSID5060691

HScode：

2916399090

Characteristics

PSA：

72.1

XLogP3：

1.9

Appearance：

Beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

78 °C

Boiling Point：

279 °C

Flash Point：

279°C

Refractive Index：

1.554

Water Solubility：

H2O: insoluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Methyl 3-nitrobenzoate Use and Manufacturing

Methods of Manufacturing

By nitration of methyl benzoate. Add concentrated sulfuric acid into the dry reaction pot, cool to 0-10°C, slowly add methyl benzoate, and then add dropwise a mixture of fuming nitric acid and concentrated sulfuric acid, and control the system temperature at 5-15°C. After the addition, react at 15°C for 1h. Cool, add ice to precipitate methyl meta-nitrobenzoate. Filter, wash away the oil with alcohol, and wash with water to get the finished product. The yield is 80%.

Uses

Used as an intermediate in organic synthesis

Manufacturing Info：

Benzoic acid, 3-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:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methanol

1-Propanol

Nitric acid

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