CAS 227305-69-3 (2,3-Dihydro-1-benzofuran-5-yl)boronic acid (HCID 2773380)

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Basic information

CAS: 227305-69-3
Standard SMILES: OB(O)c1ccc2c(c1)CCO2
InChIKey: ZIXLJHSFAMVHPC-UHFFFAOYSA-N
Molecular formula: C8H9BO3
Average molar mass: 163.97 g/mol
Monoisotopic mass: 164.06447455

Names & identifiers

Preferred name: (2,3-Dihydro-1-benzofuran-5-yl)boronic acid
IUPAC: 2,3-dihydro-1-benzofuran-5-ylboronic acid
English name: 2,3-DIHYDROBENZOFURAN-5-BORONIC ACID
Molecular formula: C8H9BO3
Molecular weight: 163.97

Names & synonyms

2,3-dihydrobenzofuran-5-ylboronic Acid(2,3-dihydro-1-benzofuran-5-yl)boronic acidRefChem:394495640-479-92,3-Dihydrobenzofuran-5-boronic acid227305-69-32,3-dihydro-1-benzofuran-5-ylboronic acid(2,3-dihydrobenzofuran-5-yl)boronic acidMFCD026819792,3-DIHYDROBENZOFURAN-5-YL-5-BORONIC ACIDNCGC00249551-01Boronic acid, (2,3-dihydro-5-benzofuranyl)-

Show more names

AKOS BRN-0092BUTTPARK 95\50-595-Borono-2,3-dihydro-1-benzofuran2,3-DIHDROBENZOFURAN-5-BORONIC ACID2,3-Dihydrobenzofurane-5-boronicacid3-dihydrobenzofuran-5-yl-5-boronic acid

2,3-DIHYDROBENZOFURAN-5-BORONICACID2,3-dihydro2,3-dihydrobenzo[b]furan-5-ylboronic acidSCHEMBL88952,3-DIHYDROBENZO[B]FURAN-5-BORONIC ACIDDTXSID80945405SBB071080AKOS004116211

Database identifiers

CAS: 227305-69-3
PubChem CID

Properties

Computed structural properties

Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 200 °C · 200 °C
Boiling point: 358.4 · 358.4±52.0 °C(Predicted)
Density: 1.29 · 1.29±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 8.99 · 8.99±0.20(Predicted)
color: White to Almost white
Water Solubility: Slightly Soluble in water(2.6 g/L) (25°C).
CAS DataBase Reference: 227305 · 227305-69-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): 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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

hs_code: 29329990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-37/39-60-37
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313