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1-Ethyl 5-nitro-1,3-benzenedicarboxylate

1-Ethyl 5-nitro-1,3-benzenedicarboxylate structure

CAS No:
22871-55-2
Formula:
C10H9NO6
Chemical Name:
1-Ethyl 5-nitro-1,3-benzenedicarboxylate
Synonyms:
1,3-Benzenedicarboxylic acid,5-nitro-,1-ethyl ester;Isophthalic acid,5-nitro-,monoethyl ester;1,3-Benzenedicarboxylic acid,5-nitro-,monoethyl ester;1-Ethyl 5-nitro-1,3-benzenedicarboxylate;Monoethyl 5-nitroisophthalic acid;Monoethyl 5-nitroisophthalate;3-Ethoxycarbonyl-5-nitrobenzoic acid;Ethyl 3-carboxy-5-nitrobenzoate

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1-Ethyl 5-nitro-1,3-benzenedicarboxylate Basic Attributes

Molecular Weight：

239.18200

Exact Mass：

239.18

EC Number：

245-273-9

HScode：

2918990090

Characteristics

PSA：

109.42000

XLogP3：

1.99290

Density：

1.421g/cm3

Melting Point：

162 °C @ Solvent: Ethanol

Boiling Point：

425.1ºC

Flash Point：

210.9ºC

Refractive Index：

1.581

Vapor Pressure：

5.52E-08mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethyl 5-nitro-1,3-benzenedicarboxylate Use and Manufacturing

Manufacturing Info：

1,3-Benzenedicarboxylic acid, 5-nitro-, 1-ethyl ester: INACTIVE

Computed Properties

Molecular Weight:239.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:239.04298701
Monoisotopic Mass:239.04298701
Topological Polar Surface Area:109
Heavy Atom Count:17
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Ethyl 5-nitro-1,3-benzenedicarboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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