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Isotope-labelled compounds

Fumaric acid-13c2,2h2

Also known as Fumaric acid-1,4-13C2,2,3-d2, (2E)-2-Butenedioic-1,4-13C2-2-d acid, (E)-2,3-dideuterio(1,4-13C2)but-2-enedioic acid

CAS 100858-52-4Formula C4H4O4Molar mass 120.07 g/molEC 694-677-5
GHS signal word: Warning. Pictograms: Harmful or irritant
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Fumaric acid-13c2,2h2 chemical structure, C4H4O4, CAS 100858-52-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
100858-52-4
Formula
C4H4O4
Molar mass
120.07 g/mol
EC number
694-677-5
HS code
284590
Category
Isotope-labelled compounds

What is Fumaric acid-13c2,2h2?

Plain description, key identifiers and synonyms

Fumaric acid-13c2,2h2 is a chemical substance with the molecular formula C4H4O4 and a molar mass of 120.07 g/mol. Its CAS registry number is 100858-52-4. The IUPAC name is (E)-2,3-dideuterio(1,4-13C2)but-2-enedioic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-2,3-dideuterio(1,4-13C2)but-2-enedioic acid
CAS number
100858-52-4
EC number
694-677-5
Molecular formula
C4H4O4
InChIKey
VZCYOOQTPOCHFL-WSHNTRCTSA-N
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1D,2D,3+1,4+1
Canonical SMILES
O=C(O)C=CC(=O)O
Isomeric SMILES
[2H]/C(=C(/[2H])\[13C](=O)O)/[13C](=O)O

Synonyms

  • Fumaric acid-1,4-13C2,2,3-d2
  • (2E)-2-Butenedioic-1,4-13C2-2-d acid
  • (E)-2,3-dideuterio(1,4-13C2)but-2-enedioic acid
  • Fumaric Acid (1,4-13C2, 99%, 2,3-D2, 98%)

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
120.07 g/molcalc.
Exact mass
120.0302 Dacalc.
LogP (octanol/water)
-0.29calc.
Topological polar surface area
74.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
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.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H319Causes serious eye irritation.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.

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

Full safety data and first aid

Fumaric acid-13c2,2h2 suppliers

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Fumaric acid-13c2,2h2 price

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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 Fumaric acid-13c2,2h2 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Fumaric acid-13c2,2h2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Fumaric acid-13c2,2h2, based on the data on this page

What is Fumaric acid-13c2,2h2?

Fumaric acid-13c2,2h2 is a chemical substance with the molecular formula C4H4O4 and a molar mass of 120.07 g/mol. Its CAS registry number is 100858-52-4. The IUPAC name is (E)-2,3-dideuterio(1,4-13C2)but-2-enedioic acid.

What is the CAS number of Fumaric acid-13c2,2h2?

The CAS registry number of Fumaric acid-13c2,2h2 is 100858-52-4.

What is the molecular formula and weight of Fumaric acid-13c2,2h2?

The molecular formula of Fumaric acid-13c2,2h2 is C4H4O4 and its molar mass is 120.07 g/mol.

What is Fumaric acid-13c2,2h2 used for?

Known uses and roles of Fumaric acid-13c2,2h2 include isotope-labelled compounds in research and laboratory.

Is Fumaric acid-13c2,2h2 hazardous?

Fumaric acid-13c2,2h2 carries the GHS signal word "Warning". Main hazards: causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Fumaric acid-13c2,2h2?

Fumaric acid-13c2,2h2 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fumaric acid-13c2,2h2?

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What is the price of Fumaric acid-13c2,2h2?

Suppliers quote Fumaric acid-13c2,2h2 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

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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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