methyl 2-chloro-1H-pyrrole-3-carboxylate
Basic information
- CAS
126480-98-6- Standard SMILES
COC(=O)c1cc[nH]c1Cl- InChIKey
JJYROUBBPPVBNV-UHFFFAOYSA-N- Molecular formula
- C6H6ClNO2
- Average molar mass
- 159.57 g/mol
- Monoisotopic mass
- 159.0087061
Names & identifiers
- Preferred name
- methyl 2-chloro-1H-pyrrole-3-carboxylate
- IUPAC
- methyl 2-chloro-1H-pyrrole-3-carboxylate
Names & synonyms
methyl 2-chloro-1H-pyrrole-3-carboxylate126480-98-6RefChem:814251820-793-4SCHEMBL9743455BFA48098AT16177methyl2-chloro-1H-pyrrole-3-carboxylateEN300-301347InChI=1/C6H6ClNO2/c1-10-6(9)4-2-3-8-5(4)7/h2-3,8H,1H
Database identifiers
- CAS
126480-98-6- PubChem CID
- 643372
- EC Number
- 820-793-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
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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