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Dimethyl fumarate

Dimethyl fumarate structure

CAS No:
624-49-7
Formula:
C6H8O4
Chemical Name:
Dimethyl fumarate
Synonyms:
2-Butenedioic acid (2E)-,1,4-dimethyl ester;Fumaric acid,dimethyl ester;2-Butenedioic acid (E)-,dimethyl ester;2-Butenedioic acid (2E)-,dimethyl ester;Allomaleic acid dimethyl ester;Boletic acid dimethyl ester;trans-Butenedioic acid dimethyl ester;Dimethyl fumarate;trans-1,2-Ethylenedicarboxylic acid dimethyl ester;Methyl fumarate;Dimethyl trans-ethylenedicarboxylate;Dimethyl (E)-butenedioate;(2E)-2-Butenedioic acid dimethyl ester;(E)-But-2-enedioic acid dimethyl ester;NSC 167432;NSC 25942;AZL-O 211089;Dimethyl (E)-2-butenedioate;BG 00012;Panaclar;BG 12;Tecfidera;Tecfira;(E)-2-Butenedioic acid dimethyl ester;Skilarence;1017900-75-2
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

Dimethyl fumarate is a nuclear factor (erythroid-derived)-like 2 (Nrf2) pathway activator and induces upregulation of antioxidant gene expression.

Dimethyl fumarate Basic Attributes

Molecular Weight：

144.126

Exact Mass：

144.13

EC Number：

210-849-0

HScode：

2917190090

Characteristics

PSA：

52.6

XLogP3：

0.7

Appearance：

WHITE CRYSTALLINE POWDER.

Density：

1.0283 g/cm³ @ Temp: 20 °C

Melting Point：

103.5 °C

Boiling Point：

193 °C

Flash Point：

91.1±0.0 °C

Refractive Index：

1.435

Water Solubility：

Solubility in water, g/l: 1.6 (poor)

Storage Conditions：

Keep in a well-ventilated room. Well closed. Keep in the dark. Separated from strong oxidants.

Vapor Pressure：

negligible

Vapor Density：

Relative vapour density (air = 1): 5

Toxicity：

LD50 orally in Rabbit: 2240 mg/kg LD50 dermal Rabbit 1250 mg/kg

Explosive limit：

Finely dispersed particles form explosive mixtures in air.

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

R21;R36/37/38

safety instructions：

S26-S36/37/39

RTECS Number：

EM6125000

Marks：

Xn:Harmful;

Storage features：

Keep in a well-ventilated room. Well closed. Keep in the dark. Separated from strong oxidants.

Stability/Shelf Life：

Stable. Incompatible with acids, bases, oxidizing agents, reducing agents.

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H312-H315-H317-H319-H411

Dimethyl fumarate Use and Manufacturing

immunomodulator trans-1,2-Ethylenedicarboxylic Acid is used in cycloaddition reactions involving ylides, benzenes and amino acids.

Computed Properties

Molecular Weight:144.12
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:144.04225873
Monoisotopic Mass:144.04225873
Topological Polar Surface Area:52.6
Heavy Atom Count:10
Complexity:141
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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