Basic information
- CAS
55514-11-9- Standard SMILES
O=C(O)[13CH2]C(=O)O- InChIKey
OFOBLEOULBTSOW-OUBTZVSYSA-N- Molecular formula
- C3H4O4
- Average molar mass
- 105.05 g/mol
- Monoisotopic mass
- 105.01431344
Names & identifiers
- Preferred name
- Malonic acid-2-13C
- IUPAC
- (213C)propanedioic acid
- English name
- Malonic acid-2-13C
- Molecular formula
- C3H4O4
- Molecular weight
- 105.07
Names & synonyms
Malonic acid-2-13C55514-11-9DTXSID30462531RefChem:351851DTXCID20413350622-719-4(213C)propanedioic acidMALONICACID-2-13Cstarbld0016639(2-~13~C)Propanedioic acidSCHEMBL1332405Malonic acid-2-13C, 99 atom % 13C
Show more names
malonic-2-13C acidMALONIC-2-13C ACID, 99 ATOM % 13C
Database identifiers
- CAS
55514-11-9- PubChem CID
- 11332425
- DTXSID
DTXSID30462531- EC Number
- 622-719-4
- Nikkaji
- J1.199.244G
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Melting point
- 132 · 132-135 °C (dec.) (lit.)
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/i1+1
- InChIKey
- OFOBLEOULBTSOW-OUBTZVSYSA-N
- SMILES
- OC(=O)[13CH2]C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 141 · 141-82-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesMalonic Acid-2-13C is labelled Malonic Acid (M158005) which is a small bioactive molecule, that can be used in variuos reactions. It is the classic example of a competitive inhibitor, which acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain.
Upstream & downstream products
Downstream products
Suppliers10 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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