methyl (3E)-4-(3-chlorophenyl)-2-oxobut-3-enoate
Basic information
- CAS
1112238-35-3- Standard SMILES
COC(=O)C(=O)/C=C/c1cccc(Cl)c1- InChIKey
DEGHGCFUXGDZGK-AATRIKPKSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0240218
Names & identifiers
- Preferred name
- methyl (3E)-4-(3-chlorophenyl)-2-oxobut-3-enoate
- IUPAC
- methyl (E)-4-(3-chlorophenyl)-2-oxobut-3-enoate
- English name
- Methyl (3E)-4-(3-chlorophenyl)-2-oxobut-3-enoate
- Molecular formula
- C11H9ClO3
- Molecular weight
- 224.64
Names & synonyms
methyl (3E)-4-(3-chlorophenyl)-2-oxobut-3-enoate1112238-35-3RefChem:812258800-266-5methyl (E)-4-(3-chlorophenyl)-2-oxobut-3-enoateMFCD22689167(E)-Methyl 4-(3-chlorophenyl)-2-oxobut-3-enoateAKOS016028559SS-4414CS-0440957(E)-Methyl4-(3-chlorophenyl)-2-oxobut-3-enoateMethyl (3E)-4-(3-chlorophenyl)-2-oxo-3-butenoate
Show more names
3-Butenoic acid, 4-(3-chlorophenyl)-2-oxo-, methyl ester, (3E)-
Database identifiers
- CAS
1112238-35-3- PubChem CID
- 13624872
- EC Number
- 800-266-5
- Nikkaji
- J2.669.274A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- HS Code
- 2918300090 · 2918300090
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, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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