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580-74-5

Basic Information
CAS No.: 580-74-5
Name: Xantocillin
Article Data: 2
Molecular Structure:
Molecular Structure of 580-74-5 (Xantocillin)
Formula: C18H12 N2 O2
Molecular Weight: 288.305
Synonyms: Ethyleneisocyanide, bis(p-hydroxybenzylidene)- (6CI,7CI,8CI);(1Z,3Z)-2,3-Diisocyano-1,4-bis(4-hydroxyphenyl)buta-1,3-diene;1,4-Bis(p-hydroxyphenyl)-2,3-diisonitrilo-1,3-butadiene; Brevicid; Brevicide;Brevicide X; NSC 179485; NSC 227183; Ophthocillin; Trianthil; Xanthocillin X;Xantocillin; Xantyrid
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and CN. See also NITRILES.
PSA: 40.46000
LogP: 2.77980
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    1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene cas 580-74-5Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

IUPAC  Name: 4-[(1Z,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol    
Molecular Formula: C18H12N2O2
Molecular Weight: 288.32
Freely Rotating Bonds: 5
Polar Surface Area: 27.18 Å
The Cas Register Number of 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene is 580-74-5.The chemical synonyms of 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene (CAS NO.580-74-5) are 1,4-Bis(p-hydroxyphenyl)-2,3-diisonitrilo-1,3-butadiene ; 4,4'-(2,3-Diisocyano-1,3-butadiene-1,4-diyl)bisphenol ; Xantocillin and  Phenol, 4,4'-[(1Z,3Z)-2,3-diisocyano-1,3-butadiene-1,4-diyl]bis-  .The molecular structure of 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene (CAS NO.580-74-5) is.

Uses

 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene (CAS NO.580-74-5) is used as pharmaceutical intermediate.

Toxicity Data With Reference

1.    

orl-mus LD50:45 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 7 (1957),98.
2.    

ipr-mus LD50:20 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 7 (1957),98.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and CN. See also NITRILES.