Basic information
- Standard SMILES
O=C(O)/C=C(\Cl)C(=O)O- InChIKey
ZQHJVIHCDHJVII-UPHRSURJSA-N- Molecular formula
- C4H3ClO4
- Average molar mass
- 150.52 g/mol
- Monoisotopic mass
- 149.97198626
Names & identifiers
- Preferred name
- 2-Chloromaleic acid
- IUPAC
- (Z)-2-chlorobut-2-enedioic acid
- English name
- 2-chloromaleic acid
- Molecular formula
- C4H3ClO4
- Molecular weight
- 150.52
Names & synonyms
CHLOROFUMARIC ACID617-42-5NSC-4291354LB57ED2ARefChem:575855622-391-22-Chloromaleic acid(2Z)-2-chloro-2-butenedioic acid(2Z)-2-chlorobut-2-enedioic acidFumaric acid, chloro-(Z)-2-chlorobut-2-enedioic acidNSC-408866
Show more names
Nsc42913(Z)-2-Chloro-2-butenedioic acid2-Butenedioic acid, 2-chloro-, (2Z)-
2-ChlorofumaricacidCHLOROBUTENE-1,4-DIOIC ACID2-Butenedioic acid, 2-chloro-, (Z)-2-Chlorobutenedioic acidWLN: QVYGU1VQ -TSCHEMBL491372DTXSID2021529ZQHJVIHCDHJVII-UPHRSURJSA-N
Database identifiers
- CAS
19071-21-7、617-42-5、617-43-6- PubChem CID
- 5284488
- DTXSID
DTXSID2021529- UNII
- 54LB57ED2A
- EC Number
- 622-391-2
- Nikkaji
- J1.667E、J569.889H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 326 · 326.0±27.0 °C(Predicted)
- Density
- 1.698 · 1.698±0.06 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.19(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
1 records
Linked notes
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