Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
Basic information
- CAS
938-75-0- Standard SMILES
CCOC(=O)c1[nH]cc(C)c1C- InChIKey
XUIPYRXOVPTMHC-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
- English name
- 3,4-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate938-75-0DTXSID90404917RefChem:594564DTXCID70355771103-254-1MFCD00030365PYR-87501H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, ethyl ester3,4-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTERorb1705116SCHEMBL4107701
Show more names
RARECHEM AS SA 00685-Ethoxycarbonyl-3,4-dimethylpyrrole3,4-diMethyl-1,3-dihydro-pyrrol-2-one2-Carboethoxy-3,4-dimethyl-1H-pyrrole2-Ethoxycarbonyl-3,4-dimethyl-1H-pyrrole3,4-Dimethyl-2-(ethoxycarbonyl)-1H-pyrrole
SCHEMBL6629113SBB0538992-ethoxycarbonyl-3,4-dimethylpyrroleAKOS016002732AB01504ethyl 3,4-dimethylpyrrole-2-carboxylateTS-02255DB-025136
Database identifiers
- CAS
938-75-0- PubChem CID
- 4615304
- DTXSID
DTXSID90404917- EC Number
- 103-254-1
- Nikkaji
- J813.334D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 105 · 105-108℃
- Boiling point
- 340 ℃ · 340℃ (10 Torr)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- white flakes
- pka
- 15.84 · 15.84±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P271-P280
- HS Code
- 2933998090 · 2933998090
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P271-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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