Methyl 4-chloro-3-ethynylbenzoate
Basic information
- CAS
1429617-96-8- Standard SMILES
C#Cc1cc(C(=O)OC)ccc1Cl- InChIKey
GBWIPZGSZSCNTN-UHFFFAOYSA-N- Molecular formula
- C10H7ClO2
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 194.0134572
Names & identifiers
- Preferred name
- Methyl 4-chloro-3-ethynylbenzoate
- IUPAC
- methyl 4-chloro-3-ethynylbenzoate
Names & synonyms
methyl 4-chloro-3-ethynylbenzoate1429617-96-8SCHEMBL19993693DB-158592G75208EN300-39660313F553530
Database identifiers
- CAS
1429617-96-8- PubChem CID
- 134366152
- EC Number
- 175-905-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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