Basic information
- CAS
917388-36-4- Standard SMILES
COC(=O)c1cc(Cl)cc(C(N)=O)c1- InChIKey
YWHGADDUZRJHSF-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- Methyl 3-carbamoyl-5-chlorobenzoate
- IUPAC
- methyl 3-carbamoyl-5-chlorobenzoate
Names & synonyms
methyl 3-carbamoyl-5-chlorobenzoate917388-36-4RefChem:815372843-628-8Benzoic acid, 3-(aminocarbonyl)-5-chloro-, methyl esterSCHEMBL3489722YWHGADDUZRJHSF-UHFFFAOYSA-NAKOS020024586methyl 3-(aminocarbonyl)-5-chlorobenzoateMethyl 3-carbamoyl-5-chlorobenzoate, 97%EN300-5436631Z1450943720
Database identifiers
- CAS
917388-36-4- PubChem CID
- 58963003
- EC Number
- 843-628-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
10 records
Compound notes
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