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B 4400

B 4400 structure

B 4400 

structure
  • CAS No:

    73003-90-4

  • Formula:

    C13H12O6

  • Chemical Name:

    B 4400

  • Synonyms:

    1,3-Isobenzofurandione,3a,4,5,7a-tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxo-3-furanyl)-;3a,4,5,7a-Tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxo-3-furanyl)-1,3-isobenzofurandione;Epiclon EXP 4400;5-(2,5-Diketotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride;Epiclon B 4400;B 4400;3a,4,5,7a-Tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxofuran-3-yl)isobenzofuran-1,3-dione;5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride;5-(2,5-Dioxotetrahydro-3-furanyl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride;B 4500;Epiclon B 4500;83636-44-6;96231-11-7;106946-03-6;127682-40-0;165182-40-1;173979-41-4;509097-80-7;1643460-21-2

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

B 4400 Basic Attributes

264.23100

264.23

277-212-7

281D83AH5V

Characteristics

86.74000

0.35810

172ºC

1.591

Safety Information

S22-S24/25

|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 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

B 4400 Use and Manufacturing

1,3-Isobenzofurandione, 3a,4,5,7a-tetrahydro-7-methyl-5-(tetrahydro-2,5-dioxo-3-furanyl)-: ACTIVE

Computed Properties

Molecular Weight:264.23
XLogP3:-0.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:264.06338810
Monoisotopic Mass:264.06338810
Topological Polar Surface Area:86.7
Heavy Atom Count:19
Complexity:531
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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