Basic information
- CAS
1461707-50-5- Standard SMILES
COC(=O)c1ccc(F)c(CN)c1.Cl- InChIKey
AZGFTDQJMUWTAE-UHFFFAOYSA-N- Molecular formula
- C9H11ClFNO2
- Average molar mass
- 219.64 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride
- IUPAC
- methyl 3-(aminomethyl)-4-fluorobenzoate;hydrochloride
Names & synonyms
methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride1461707-50-5RefChem:814932847-069-0methyl 3-(aminomethyl)-4-fluorobenzoate;hydrochlorideSCHEMBL17077484AZGFTDQJMUWTAE-UHFFFAOYSA-NLIC70750DB-109258EN300-131240methyl3-(aminomethyl)-4-fluorobenzoatehydrochlorideZ1642389641
Database identifiers
- CAS
1461707-50-5- PubChem CID
- 75422100
- EC Number
- 847-069-0
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Safety & regulation
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
2 records
Compound notes
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