Basic information
- CAS
96503-56-9- Standard SMILES
O=[13C](O)/C=C/[13C](=O)O- InChIKey
XLYMOEINVGRTEX-ONEGZZNKSA-N- Molecular formula
- C4H4O4
- Average molar mass
- 118.06 g/mol
- Monoisotopic mass
- 118.01766828
Names & identifiers
- Preferred name
- FuMaric Acid-1,4-13C2
- IUPAC
- (E)-(1,4-13C2)but-2-enedioic acid
- English name
- (2E)-
- Molecular formula
- C6H8O4
- Molecular weight
- 144.12532
Names & synonyms
FuMaric Acid-1,4-13C296503-56-9(E)-(1,4-13C2)But-2-enedioic acidFUMARIC ACID-13C2Fumaric Acid-1,4-SCHEMBL31119889Fumaric acid-1,4-13C2, 99 atom % 13CH624722,3-D2, 98%)2,3-D2, 96-98%)Ring-3,5-D2,98%)13C1,4-fumaric acid
Show more names
L-Tyrosine(1,2-13C,99%L-THREONINE (4-13C, 97%FUMARIC ACID (1-13C, 99%DL-Tyrosine(1,2-13C2,99%L-Phenylalanine(2-13C,99%
Database identifiers
- CAS
96503-56-9- PubChem CID
- 12201058
- EC Number
- 695-528-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 298 · 298-300 (subl)(lit.)
- Flash point
- 230 °C · 230 °C
- storage temp.
- 15 · 15-25°C
- form
- powder
- UNSPSC Code
- 12352115 · 12352115
- CAS Number Unlabeled
- 110 · 110-17-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses(Fumaric acid-1,4-13C2) Labelled Fumaric Acid (F500380). Occurs in many plants. Essential to vegetable and tissue respiration. Used as an antioxidant.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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