ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate

HCID 138486

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Basic information

CAS: 5408-07-1
Standard SMILES: CCOC(=O)c1[nH]c(C)c(Br)c1C
InChIKey: POLBZQUAKJYNIF-UHFFFAOYSA-N
Molecular formula: C9H12BrNO2
Average molar mass: 246.1 g/mol
Monoisotopic mass: 245.00514072

Names & identifiers

Preferred name: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
English name: Ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular formula: C9H12BrNO2
Molecular weight: 246.1

Names & synonyms

ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylateRefChem:595343841-374-25408-07-1MFCD026470511H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl esterethyl 4-bromo-3,5-dimethylpyrrole-2-carboxylateNSC107614-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterSCHEMBL2026881DTXSID20202408POLBZQUAKJYNIF-UHFFFAOYSA-N

Show more names

Ethyl 4-bromo-3Ethyl4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate97%Ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate 97%Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester

CS-B1574NSC 10761NSC-10761SBB053895AKOS015899109SB62088SY143684TS-03392

Database identifiers

CAS: 5408-07-1
PubChem CID: 138486
DTXSID: DTXSID20202408
EC Number: 841-374-2
Nikkaji: J694.636D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 198

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.