Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester
Basic information
- CAS
1530-56-9- Standard SMILES
CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
JFZSKYRYLDKGRC-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO6
- Average molar mass
- 287.65 g/mol
- Monoisotopic mass
- 287.0196647
Names & identifiers
- Preferred name
- Acetic acid acetoxy-(4-chloro-2-nitro-phenyl)-methyl ester
- IUPAC
- [acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate
- English name
- (acetyloxy)(4-chloro-2-nitrophenyl)methyl acetate
- Molecular formula
- C11H10ClNO6
- Molecular weight
- 287.6532
Names & synonyms
1530-56-9ACETIC ACID ACETOXY-(4-CHLORO-2-NITRO-PHENYL)-METHYL ESTERRefChem:551900683-498-8(4-Chloro-2-nitrophenyl)methylene diacetateSCHEMBL11289703JFZSKYRYLDKGRC-UHFFFAOYSA-NAKOS024331782(Acetyloxy)(4-chloro-2-nitrophenyl)methyl acetate #4-Chloro-2-nitro-toluene-.alpha.,.alpha.-diol diacetate(acetyloxy)(4-chloro-2-nitrophenyl)methyl acetate
Database identifiers
- CAS
1530-56-9- PubChem CID
- 540244
- EC Number
- 683-498-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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