Basic information
- CAS
21824-93-1- Standard SMILES
CCCCOC(=O)C(Cl)=C(Cl)C(Cl)(Cl)Cl- InChIKey
XZSVYPVMTCFPMI-UHFFFAOYSA-N- Molecular formula
- C8H9Cl5O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 311.904518
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester
- IUPAC
- butyl 2,3,4,4,4-pentachlorobut-2-enoate
- English name
- butyl 2,3,4,4,4-pentachlorocrotonate
- Molecular formula
- C8H9Cl5O2
- Molecular weight
- 314.42086
Names & synonyms
21824-93-12-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl esterDTXSID6066735EINECS 244-594-12,3,4,4,4-Pentachloro-2-butenoic acid, butyl esterRefChem:467981DTXCID4036562Butyl 2,3,4,4,4-pentachlorocrotonatebutyl 2,3,4,4,4-pentachlorobut-2-enoatebutyl perchlorocrotonate33PYD9NB2FSCHEMBL10698964
Show more names
N-BUTYLPERCHLOROCROTONATEPentachlorocrotonic acid butyl ester2,3,4,4,4-Pentachloro-2-butenoic acid butyl ester(E)-2,3,4,4,4-Pentachloro-2-butenoic acid butyl ester
XZSVYPVMTCFPMI-UHFFFAOYSA-NCrotonic acid, pentachloro-, butyl esterButyl 2,3,4,4,4-pentachloro-2-butenoate
Database identifiers
- CAS
21824-93-1- PubChem CID
- 89537
- DTXSID
DTXSID6066735- UNII
- 33PYD9NB2F
- EC Number
- 244-594-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester (21824-93-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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