Basic information
- CAS
24461-32-3- Standard SMILES
[2H]/C(C(=O)O)=C(/[2H])C(=O)O- InChIKey
VZCYOOQTPOCHFL-FBBQFRKLSA-N- Molecular formula
- C4H4O4
- Average molar mass
- 118.08 g/mol
- Monoisotopic mass
- 118.0235121
Names & identifiers
- Preferred name
- Fumaric acid-2,3-d2
- IUPAC
- (E)-2,3-dideuteriobut-2-enedioic acid
- English name
- FUMARIC-2,3-D2 ACID
- Molecular formula
- C4H4O4
- Molecular weight
- 116.07
Names & synonyms
Fumaric acid-2,3-d224461-32-3DTXSID10480197RefChem:345752DTXCID50431007Fumaric-2,3-d2 acidFumaric acid-d2(E)-2,3-dideuteriobut-2-enedioic acidMaleic acid-2,3-d2d2-fumaricMaleic-2,3-d2 Acid (contains ~1% d0)Fumaric acid-2,3-d?
Show more names
(2E)-but-2-enedioic acidFUMARIC-D2 ACID, 98 ATOM % DRMA03227 RSfumaric-D2 acidFUMARIC ACID (2,3-D2)Fumaric Acid-D2 (Standard)Fumaric acid (2,3-D?, 98%)
orb3138749SCHEMBL15829515TMID-0960(2E)-(?H?)but-2-enedioic acidHY-W015883S3AKOS015893971Fumaric acid-2,3-d2, 98 atom % D(2E)-(~2~H_2_)But-2-enedioic acid
Database identifiers
- CAS
24461-32-3- PubChem CID
- 12201062
- DTXSID
DTXSID10480197- EC Number
- 687-252-0
- Nikkaji
- J1.526.793C
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
- 299 · 299-300 °C (subl.) (lit.)
- Flash point
- 230 ℃ · 230℃
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1D,2D
- InChIKey
- VZCYOOQTPOCHFL-FBBQFRKLSA-N
- SMILES
- [2H]\C(=C(\[2H])C(O)=O)C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 110 · 110-17-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
Safety & regulation
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
- wgk
- 3
- risk_code
- 36/37/38-41-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesFumaric Acid-d2 is the isotope labelled analog of Fumaric Acid. Fumaric acid is a compound that occurs in many plants. It is essential to vegetable and tissue respiration and also used as an antioxidant. Fumaric acid is also a metabolite of Dimethyl Fumarate (D464965), a compound used as a treatment for the relapsing forms of multiple sclerosis and psoriasis.
Suppliers24 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳鼎邦化学品有限公司15616500668 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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