Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate

HCID 137478

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Basic information

CAS: 2199-45-3
Standard SMILES: CCOC(=O)c1cc(C)c(C)[nH]1
InChIKey: NJUXFNQDUIJYPO-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol
Monoisotopic mass: 167.09462866

Names & identifiers

Preferred name: Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
English name: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular formula: C9H13NO2
Molecular weight: 167.21

Names & synonyms

Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylateRefChem:595126873-231-52199-45-34,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterMFCD041125371H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl esterSCHEMBL2150729DTXSID001764112-Carbethoxy-4,5-dimethylpyrrole2,3-dimethyl-5-carbethoxy-pyrroleCAA19945

Show more names

Ethyl 2,3-diMethylpyrrole-5-carboxylate

AKOS006292653SB35489AS-48385ethyl-4,5-dimethyl-2-pyrrole carboxylateSY240355DB-360464CS-0151792Ethyl4,5-dimethyl-1H-pyrrole-2-carboxylate

Database identifiers

CAS: 2199-45-3
PubChem CID: 137478
DTXSID: DTXSID00176411
EC Number: 873-231-5
Nikkaji: J121.885I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P