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1-Methyl 5-nitro-1,3-benzenedicarboxylate

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

CAS No:
1955-46-0
Formula:
C9H7NO6
Chemical Name:
1-Methyl 5-nitro-1,3-benzenedicarboxylate
Synonyms:
1,3-Benzenedicarboxylic acid,5-nitro-,1-methyl ester;Isophthalic acid,5-nitro-,monomethyl ester;1,3-Benzenedicarboxylic acid,5-nitro-,monomethyl ester;Isophthalic acid,5-nitro-,methyl ester;1-Methyl 5-nitro-1,3-benzenedicarboxylate;Monomethyl 5-nitroisophthalate;Methyl hydrogen 5-nitroisophthalate;5-Nitro-3-(carbomethoxy)benzoic acid;3-Carbomethoxy-5-nitrobenzoic acid;5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester;5-Nitroisophthalic acid monomethyl ester;3-Methoxycarbonyl-5-nitrobenzoic acid;3-Nitro-5-(methoxycarbonyl)benzoic acid;5-Nitroisophthalic acid methyl ester;5-Nitro-1,3-benzenedicarboxylic acid methyl ester;Methyl 3-carboxy-5-nitrobenzoate
Categories:
Chemical Reagents > Organic Reagents

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Description

SLIGHTLY YELLOW FINE CRYSTALLINE POWDER

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

Molecular Weight：

225.15

Exact Mass：

225.15

BRN：

1469253

EC Number：

217-793-6

UNII：

V8UVV7P68X

HScode：

29173980

Characteristics

PSA：

109

XLogP3：

1.5

Appearance：

Slightly yellow Fine Crystalline Powder

Density：

1.5322 (rough estimate)

Melting Point：

175-179 °C

Boiling Point：

366.65°C (rough estimate)

Flash Point：

207.6±25.9 °C

Refractive Index：

1.5200 (estimate)

Water Solubility：

insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

8.56E-08mmHg at 25°C

Safety Information

Transport codes：

UN 2811

wgk germany：

hazard class code：

36/37/38-26/27/28

safety instructions：

22-24/25-45-36/37/39

Marks：

T+

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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

Methods of Manufacturing

Derived from the hydrolysis of 5-nitroisophthalic acid dimethyl ester. Mix dimethyl 5-nitroisophthalate and methanol, stir and heat to dissolve. Add sodium hydroxide solution dropwise and heat to reflux for 2h. Then excess methanol was distilled off, and the residue was dissolved with warm water and filtered. The filtrate was acidified to a pH of 1, crystals were precipitated, filtered, and the filter cake was dried to give 5-nitroisophthalic acid monomethyl ester, with a yield of about 70%.

Uses

Methyl 5-nitroisophthalate is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors that target cancer cells.

Manufacturing Info：

1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester: ACTIVE

Computed Properties

Molecular Weight:225.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:225.02733694
Monoisotopic Mass:225.02733694
Topological Polar Surface Area:109
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methanol

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Methyl 5-nitroisophthalate

CAS No.: 1955-46-0

Content: 99.00%

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Mono-Meethyl 5-nitroisophthalate

Unit Price: nullnull /null null

CAS No.: 1955-46-0

Grade: Pharmaceutical Grade

Content: 97%

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JOXBIO Contact Supplier

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Manufactory Supplier of 5-Aminoisophthalic acid,3,3-Nitrophthalic anhydride,DNBC,Mono-Methyl 5-nitroisophthalate,5-DNBA,5-Dinitrobenzoyl chloride,6-triiodoisophthalic acid (5-Atipa),Formamidine Disulfide Dihydrochloride,5-dinitrobenzoic acid,3-Aminophthalic hydrazide,3-Nitrophthalic acid (3-NPA),3,2-(4-Chlorobenzoyl)benzoic acid,4-Nitrophthalonitrile,4-Nitrophthalimide,3-Nitrophthalonitrile,2-Methyl-4-nitroaniline,5-Dinitrobenzoic acid,DNBA,2-Methyl-6-nitroaniline,Sodium diatrizoate dihydrate,Pyridoxine dipalmitate,4-Nitro-N-methylphthalimide,Dimethyl 5-nitroisophthalate,4-Benzoquinone dioxime,5-DNBC,5-Nitroisophthalic acid,pyridoxine tripalmitate

Mono-Methyl 5-nitroisophthalate

CAS No.: 1955-46-0

Grade: Pharmaceutical Grade

Content: 98.00%

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

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
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1-Methyl 5-nitro-1,3-benzenedicarboxylate

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