7-Amino-2-benzofuran-1(3H)-one

HCID 10909726CAS 3883-64-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cccc2c1C(=O)OC2
InChIKey
ZOKRDQGDSFSYSE-UHFFFAOYSA-N
Molecular formula
C8H7NO2
Average molar mass
149.15 g/mol
Monoisotopic mass
149.04767846

Names & identifiers

Preferred name
7-Amino-2-benzofuran-1(3H)-one
IUPAC
7-amino-3H-2-benzofuran-1-one
English name
7-aMinoisobenzofuran-1(3H)-one
Molecular formula
C8H7NO2
Molecular weight
149.15

Names & synonyms

3883-64-57-amino-2-benzofuran-1(3H)-oneDTXSID20447958RefChem:310253DTXCID203987797-AMINOISOBENZOFURAN-1(3H)-ONE7-AMINOZSOBENZOFURAN-1(3H)-ONE7-amino-1,3-dihydro-2-benzofuran-1-one7-AMINO-3H-2-BENZOFURAN-1-ONEMFCD020916321(3H)-Isobenzofuranone, 7-amino-7-aminophthalide
Show more names
7-amino-3H-isobenzofuran-1-oneSCHEMBL1611599ZOKRDQGDSFSYSE-UHFFFAOYSA-NAKOS006278797AS-60050DB-091169CS-0452030F16457

Database identifiers

CAS
3883-64-5
PubChem CID
10909726
DTXSID
DTXSID20447958
EC Number
987-706-0
Nikkaji
J1.482.972E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
122 · 122-123 °C
Boiling point
414.4 · 414.4±45.0 °C(Predicted)
Density
1.376 · 1.376±0.06 g/cm3(Predicted)
pka
2.32 · 2.32±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers19 total

常州稀亚生物科技有限公司13775267187
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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