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Methyl 5-nitro-2-furoate

Methyl 5-nitro-2-furoate structure

CAS No:
1874-23-3
Formula:
C6H5NO5
Chemical Name:
Methyl 5-nitro-2-furoate
Synonyms:
2-Furancarboxylic acid,5-nitro-,methyl ester;2-Furoic acid,5-nitro-,methyl ester;Methyl 5-nitro-2-furoate;Methyl 5-nitropyromucate;Methyl 5′-nitropyromucate;5-Nitro-2-carbomethoxyfuran;Methyl 5-nitrofuran-2-carboxylate;5-Nitro-2-(methoxycarbonyl)furan;Methyl 5-nitro-2-furylcarboxylate;5-Nitro-2-furoic acid methyl ester;NSC 6457
Categories:
Organic Chemistry > Nitro Compounds

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Methyl 5-nitro-2-furoate Basic Attributes

Molecular Weight：

171.11

Exact Mass：

171.11

EC Number：

674-529-6

UNII：

71QM4E6J90

NSC Number：

6457

DSSTox ID：

DTXSID50172049

HScode：

2932190090

Characteristics

PSA：

85.26000

XLogP3：

1.49760

Appearance：

yellowish crystalline powder

Density：

1.6529

Melting Point：

192.5-194 °C

Boiling Point：

301.06°C (rough estimate)

Flash Point：

125.7ºC

Refractive Index：

1.5423 (estimate)

Vapor Pressure：

0.003mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26

RTECS Number：

LV2013000

Marks：

Drug Information

MeSH Entry Terms：

methyl 5-nitro-2-furoate

Computed Properties

Molecular Weight:171.11
XLogP3:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:171.01677226
Monoisotopic Mass:171.01677226
Topological Polar Surface Area:85.3
Heavy Atom Count:12
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes