CAS 4347-32-4 (4-Formylthiophen-3-yl)boronic acid (HCID 4190637)

Substructure search Find similar structures

Basic information

CAS: 4347-32-4
Standard SMILES: O=Cc1cscc1B(O)O
InChIKey: LVLCWVAVXNPOFF-UHFFFAOYSA-N
Molecular formula: C5H5BO3S
Average molar mass: 155.97 g/mol
Monoisotopic mass: 156.00524542

Names & identifiers

Preferred name: (4-Formylthiophen-3-yl)boronic acid
IUPAC: (4-formylthiophen-3-yl)boronic acid
English name: Furan-2-boronic acid
Molecular formula: C5H5BO3S
Molecular weight: 155.97

Names & synonyms

(4-formylthiophen-3-yl)boronic AcidRefChem:402866695-551-24347-32-43-FORMYL-4-THIOPHENEBORONIC ACID3-FORMYLTHIOPHENE-4-BORONIC ACID4-formylthiophen-3-ylboronic acidMFCD01319006(4-FORMYL-3-THIENYL)BORONIC ACIDBoronic acid, (4-formyl-3-thienyl)-4-formyl-3-thienylboronic acidSCHEMBL1129009

Show more names

AKOS 90301AKOS BRN-02642-FURYLBORONIC ACIDTIMTEC-BB SBB004326RARECHEM AH PB 0174RARECHEM AH PB 0259Furan-2-boronic acid2-FURANYLBORONIC ACID3-Formyl-4-thiopheneboronicaci

DTXSID00400581LVLCWVAVXNPOFF-UHFFFAOYSA-N(4-formylthiophen-3-yl)boronicAcidAKOS005256474AB08820AT16895BS-22548DB-051090

Database identifiers

CAS: 4347-32-4
PubChem CID: 4190637
DTXSID: DTXSID00400581
EC Number: 695-551-2
Nikkaji: J3.327.983C

Properties

Computed structural properties

Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 381.2 · 381.2±52.0 °C(Predicted)
Density: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
pka: 7.91 · 7.91±0.53(Predicted)
CAS DataBase Reference: 4347 · 4347-32-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HS Code: 2934999090 · 2934999090

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501