Basic information
- CAS
19071-21-7- Standard SMILES
O=C(O)C=C(Cl)C(=O)O- InChIKey
ZQHJVIHCDHJVII-UHFFFAOYSA-N- Molecular formula
- C4H3ClO4
- Average molar mass
- 150.52 g/mol
- Monoisotopic mass
- 149.9719863
Names & identifiers
- Preferred name
- 2-Chloro-2-butenedioic acid
- IUPAC
- 2-chlorobut-2-enedioic acid
Names & synonyms
2-Chloro-2-butenedioic acid19071-21-7DTXSID50862296RefChem:258386DTXCID108110832-chlorobut-2-enedioic acidSCHEMBL157974
Database identifiers
- CAS
19071-21-7- PubChem CID
- 12043
- DTXSID
DTXSID50862296- EC Number
- 622-391-2
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
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 (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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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