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Aromatic building blocks

Xanthocillin X

Also known as Xantocillin, Brevicid, Ophthocillin

CAS 580-74-5Formula C18H12N2O2Molar mass 288.31 g/molEC 234-271-3
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Xanthocillin X chemical structure, C18H12N2O2, CAS 580-74-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
580-74-5
Formula
C18H12N2O2
Molar mass
288.31 g/mol
EC number
234-271-3
HS code
292990
Category
Aromatic building blocks

What is Xanthocillin X?

Plain description, key identifiers and synonyms

Xanthocillin X is a chemical substance with the molecular formula C18H12N2O2 and a molar mass of 288.31 g/mol. Its CAS registry number is 580-74-5. The IUPAC name is 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
CAS number
580-74-5 CAS number cross-checkedOther or deprecated CAS: 11042-38-9
EC number
234-271-3
Molecular formula
C18H12N2O2
UNII
06Z55VZ40D, EX637I77PC
InChIKey
YBMVKDUTYAGKEW-WHYMJUELSA-N
InChI
InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h3-12,21-22H/b17-11-,18-12-
Canonical SMILES
[C-]#[N+]C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)cc1)[N+]#[C-]
Isomeric SMILES
[C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-]

Synonyms

  • Xantocillin
  • Brevicid
  • Ophthocillin
  • Xanthocillinum
  • Xantocilina
  • Brevicide
  • Trianthil
  • Xantyrid
  • Brevicide-X
  • Xantocilline
  • Xantocillinum
  • ETHYLENE ISOCYANIDE, BIS(p-HYDROXYBENZYLIDENE)-
  • 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadien
  • 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
  • 1,4-Di-p-oxyphenyl-2,3-di-isonitrilo-1,3-butadiene
  • Phenol, 4,4'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis-
  • Xantocillin X
  • 4-((1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl)phenol
  • 4-(4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dien-1-yl)phenol
  • Xanthocillin
  • Xanthocillin (x)
  • Brevicide, Xanthocillin X
  • 1,3-di-isonitrilo-1,3-butadien
  • (1Z,3Z)-2,3-diisocyano-1,4-bis(4-hydroxyphenyl)buta-1,3-diene
  • Phenol,4'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis-
Show all 30 synonyms
  • 4,4'-((1Z,3Z)-2,3-Diisocyanobuta-1,3-diene-1,4-diyl)diphenol
  • 4,4'-[(1Z,3Z)-2,3-Diisocyanobuta-1,3-diene-1,4-diyl]diphenol
  • 4-13-00-02885 (Beilstein Handbook Reference)
  • Antibiotic obtained from cultures of Penicillium notatum or the same substance produced by any other means
  • 1,4-di-(p-hydroxyphenyl)-2,3-diisonitrilobuta-1,3-diene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
288.31 g/molcalc.
Exact mass
288.0899 Dacalc.
LogP (octanol/water)
4.32calc.
Topological polar surface area
49.18 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C(C=Cc1ccccc1)=Cc1ccccc1

C(C=Cc1ccccc1)=Cc1ccccc1

2 rings, 16 atoms, the 1,4-Diphenyl-1,3-butadiene ring system.

142 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Xanthocillin X suppliers

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Xanthocillin X price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Xanthocillin X is traded under.

HS 2929.90Indicative HS code

Compounds with other nitrogen function, other

World exports in 2024
$712M
+1.5% vs 2023, imports $703M
2019 to 2024
Top exporters
  1. China32.1%
  2. South Korea18.0%
  3. Germany13.3%
Top importers
  1. United States19.3%
  2. Japan8.0%
  3. China7.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Xanthocillin X is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Xanthocillin X, based on the data on this page

What is Xanthocillin X?

Xanthocillin X is a chemical substance with the molecular formula C18H12N2O2 and a molar mass of 288.31 g/mol. Its CAS registry number is 580-74-5. The IUPAC name is 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol.

What is the CAS number of Xanthocillin X?

The CAS registry number of Xanthocillin X is 580-74-5. Other or deprecated CAS numbers: 11042-38-9.

What is the molecular formula and weight of Xanthocillin X?

The molecular formula of Xanthocillin X is C18H12N2O2 and its molar mass is 288.31 g/mol.

What is Xanthocillin X used for?

Known uses and roles of Xanthocillin X include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Xanthocillin X hazardous?

No GHS hazard classification for Xanthocillin X is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Xanthocillin X?

Xanthocillin X is usually classified under HS code 292990 (Compounds with other nitrogen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthocillin X?

Post a free request on CompoundList and suppliers of Xanthocillin X will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Xanthocillin X?

Suppliers quote Xanthocillin X on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Xanthocillin X

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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