Ethyl 3-aminobenzofuran-2-carboxylate

HCID 2063537CAS 39786-35-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1oc2ccccc2c1N
InChIKey
PWOARNMOPCOJEV-UHFFFAOYSA-N
Molecular formula
C11H11NO3
Average molar mass
205.21 g/mol
Monoisotopic mass
205.07389321

Names & identifiers

Preferred name
Ethyl 3-aminobenzofuran-2-carboxylate
IUPAC
ethyl 3-amino-1-benzofuran-2-carboxylate
English name
ETHYL 3-AMINOBENZOFURAN-2-CARBOXYLATE
Molecular formula
C11H11NO3
Molecular weight
205.21

Names & synonyms

Ethyl 3-aminobenzofuran-2-carboxylate39786-35-1DTXSID70366286RefChem:343330DTXCID80317325625-851-0ethyl 3-amino-1-benzofuran-2-carboxylateMFCD00641330ethyl 3-aminobenzo[b]furan-2-carboxylateF2208-00022-Benzofurancarboxylic acid, 3-amino-, ethyl esterEthyl-3-amino-1-benzofuran-2-carboxylate
Show more names
Ethyl 3-Aminocoumarilate3-Aminocoumarilic Acid Ethyl EsterEthyl3-Aminobenzofuran-2-carboxylate>ETHYL 3-AMINO-1-BENZOFURAN-2-CARBOXYLATEEthyl 3-aminobenzofuran-2-carboxylate ,97%Ethyl 3-aminobenzo[b]furan-2-carboxylate, 97%3-amino-2-benzofurancarboxylic acid ethyl ester3-Aminobenzofuran-2-carboxylic Acid Ethyl Ester
Enamine_001390AminobenzofuransaureathylesterOprea1_566336MLS000569389SCHEMBL585270CHEMBL1303116SCHEMBL29502916HMS1397P04

Database identifiers

CAS
39786-35-1
PubChem CID
2063537
DTXSID
DTXSID70366286
ChEMBL
CHEMBL1303116
EC Number
625-851-0
Nikkaji
J1.791.809E

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
77 · 77-81 °C (lit.)
Boiling point
330.1 · 330.1±22.0 °C(Predicted)
Density
1.258 · 1.258±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
solid
pka
0.41 · 0.41±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29321900
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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