1,4-Benzenediol, 2-chloro-, 1,4-diacetate
Basic information
- CAS
57981-99-4- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c(Cl)c1- InChIKey
BJNWFLGHFAIHAX-UHFFFAOYSA-N- Molecular formula
- C10H9ClO4
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0189365
Names & identifiers
- Preferred name
- 1,4-Benzenediol, 2-chloro-, 1,4-diacetate
- IUPAC
- (4-acetyloxy-3-chlorophenyl) acetate
- English name
- 2-chloro-1,4-phenylene diacetate
- Molecular formula
- C10H9ClO4
- Molecular weight
- 228.63
Names & synonyms
57981-99-41,4-Benzenediol, 2-chloro-, 1,4-diacetate1,4-Benzenediol, 2-chloro-, diacetateEINECS 261-060-3DTXSID80886248RefChem:73072DTXCID8010255842-Chloro-1,4-phenylene diacetatechlorohydroquinone diacetateSCHEMBL7161621BJNWFLGHFAIHAX-UHFFFAOYSA-NDB-313867
Show more names
CHLOROHYDROQUINONEDIACETATE2-Chloro-1,4-benzenediol diacetateDiacetic acid 2-chloro-1,4-phenylene ester
NS00053668
Database identifiers
- CAS
57981-99-4- PubChem CID
- 93909
- DTXSID
DTXSID80886248- EC Number
- 261-060-3
- Nikkaji
- J296.845B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2-chloro-, diacetate (57981-99-4)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediol, 2-chloro-, 1,4-diacetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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