methyl 4H-furo[3,2-b]pyrrole-5-carboxylate

HCID 5082263

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Basic information

CAS: 77484-99-2
Standard SMILES: COC(=O)c1cc2occc2[nH]1
InChIKey: LIIJOCBTGRORSY-UHFFFAOYSA-N
Molecular formula: C8H7NO3
Average molar mass: 165.15 g/mol
Monoisotopic mass: 165.04259309

Names & identifiers

Preferred name: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
IUPAC: methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
English name: METHYL 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
Molecular formula: C8H7NO3
Molecular weight: 165.15

Names & synonyms

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate77484-99-2DTXSID40408147methyl 4H-furo(3,2-b)pyrrole-5-carboxylateRefChem:355849DTXCID20358999641-193-74H-Furo[3,2-b]pyrrole-5-carboxylic acid methyl esterMFCD06797487methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate4H-Furo[3,2-b]pyrrole-5-carboxylic acid methylesterSCHEMBL989408

Show more names

Methyl 4H-furo[3,2-b]pyrrol-5-carboxylate5-(Methoxycarbonyl)-4H-furo[3,2-b]pyrroleMethyl4H-furo[3,2-b]pyrrole-5-carboxylate97%Methyl 4H-furo[3,2-b]pyrrole-5-carboxylate 97%4H-Furo3,2-bpyrrol-5-carboxylic acid methyl esterfuropyrrole-5-carboxylic acid Methyl ester4H-Furo[3,2-b]pyrrole-5-carboxylic acid, methyl ester (9CI, ACI)

CHEMBL4247887BBL012140SBB087888STK894048AKOS000678658AS-5467FM155237methyl furano[2,3-d]pyrrole-5-carboxylate

Database identifiers

CAS: 77484-99-2
PubChem CID: 5082263
DTXSID: DTXSID40408147
ChEMBL: CHEMBL4247887
EC Number: 641-193-7
Nikkaji: J1.599.193C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 139 °C · 139 °C
Boiling point: 286.4 · 286.4±20.0 °C(Predicted)
Density: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 14.22 · 14.22±0.30(Predicted)
color: Brown
CAS DataBase Reference: 77484 · 77484-99-2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.