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Basic Information
CAS No.: 38965-69-4
Name: XANTHOCILINY
Molecular Structure:
Molecular Structure of 38965-69-4 (XANTHOCILINY)
Formula: C18H12N2O3
Molecular Weight: 304.32
Synonyms: Xanthocillin Y 1;
Density: 1.3014 (rough estimate)
Boiling Point: 445.13°C (rough estimate)
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 60.69000
LogP: 2.48540
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Chemistry

IUPAC Name: 4-[(1Z,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]benzene-1,2-diol
Synonyms of Xanthocillin Y1 (CAS NO.38965-69-4) : 1,2-Benzenediol, 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]- ; 4-[(1Z,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyanobuta-1,3-dien-1-yl]benzene-1,2-diol
InChI: InChI=1/C18H12N2O3/c1-19-15(9-12-3-6-14(21)7-4-12)16(20-2)10-13-5-8-17(22)18(23)11-13/h3-11,21-23H/b15-9-,16-10-
CAS NO:38965-69-4
Molecular Formula:C18H12N2O3
Molecular Weight :304.2995
Molecular Structure :

Toxicity Data With Reference

1.    

orl-mus LD50:100 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 6 (1981),277.
2.    

ipr-mus LD50:15 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 6 (1981),277.
3.    

ivn-mus LD50:14 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 6 (1981),277.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When Xanthocillin Y1 (CAS NO.38965-69-4) is heated to decomposition, it emits toxic fumes of NOx.