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Isocyanate

Also known as cyanate, Cyanate ion, Cyanate ion(1-)

CAS 71000-82-3Formula CNO-Molar mass 42.02 g/mol
Isocyanate chemical structure, CNO-, CAS 71000-82-3
2D chemical structure

Key facts

What buyers check first

CAS number
71000-82-3
Formula
CNO-
Molar mass
42.02 g/mol
HS code
285390
Category
Silicates, borates and other salts

What is Isocyanate?

Plain description, key identifiers and synonyms

Cyanate is an organonitrogen compound and a pseudohalide anion. It has a role as a human metabolite. It is a conjugate base of a cyanic acid and an isocyanic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
isocyanate
CAS number
71000-82-3 CAS number cross-checkedOther or deprecated CAS: 661-20-1
Molecular formula
CNO-
UNII
YML51WA0FW
InChIKey
IQPQWNKOIGAROB-UHFFFAOYSA-N
InChI
InChI=1S/CNO/c2-1-3/q-1
SMILES (canonical and isomeric)
C(=[N-])=O

Synonyms

  • cyanate
  • Cyanate ion
  • Cyanate ion(1-)
  • Isocyanate ion(1-)
  • Isocyanic acid, ion(1-)
  • Cyanates
  • isocynate
  • Isocyanates
  • carbonyl amide
  • Cyanat
  • cyanate anion
  • fulminate ion
  • Zyanat
  • hydrogen cyanate
  • CNO-
  • nitridooxidocarbonate(1-)
  • CNO(-1)
  • [C(N)O](-)

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
42.02 g/molcalc.
Exact mass
41.9985 Dacalc.
LogP (octanol/water)
-0.11calc.
Topological polar surface area
39.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
3calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0calc.
Formal charge
-1calc.
Stereocentres
0calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Isocyanate suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 20 suppliers
20 of 20 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

20 suppliers in 10 countries

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Isocyanate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite

Functional uses

  • Adhesion/cohesion promoter
  • Catalyst
  • Chemical reaction regulator
  • Hardener

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 Isocyanate is traded under.

HS 2853.90Indicative HS code

Phosphides, whether or not chemically defined, excluding ferrophosphorus, other, other

World exports in 2024
$2.45B
−33.6% vs 2023, imports $816M
2019 to 2024
Top exporters
  1. China68.4%
  2. Israel8.1%
  3. United States4.9%
Top importers
  1. United States19.3%
  2. Japan17.9%
  3. China13.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isocyanate is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isocyanate, based on the data on this page

What is Isocyanate?

Cyanate is an organonitrogen compound and a pseudohalide anion. It has a role as a human metabolite. It is a conjugate base of a cyanic acid and an isocyanic acid.

What is the CAS number of Isocyanate?

The CAS registry number of Isocyanate is 71000-82-3. Other or deprecated CAS numbers: 661-20-1.

What is the molecular formula and weight of Isocyanate?

The molecular formula of Isocyanate is CNO- and its molar mass is 42.02 g/mol.

What is Isocyanate used for?

Known uses and roles of Isocyanate include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite, metabolite and 4 more.

Is Isocyanate hazardous?

No GHS hazard classification for Isocyanate 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 Isocyanate?

Isocyanate is usually classified under HS code 285390 (Phosphides, whether or not chemically defined, excluding ferrophosphorus, other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isocyanate?

CompoundList lists 20 suppliers of Isocyanate in China, Japan, United Arab Emirates, Germany and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isocyanate in India?

1 supplier in India list Isocyanate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isocyanate?

Suppliers quote Isocyanate 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 Isocyanate

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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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