CAS 175592-59-3 2-Formylthiophene-4-boronic acid (HCID 11084115)

Names & identifiers

Preferred name: 2-Formylthiophene-4-boronic acid
IUPAC: (5-formylthiophen-3-yl)boronic acid
English name: 2-Formylthiophene-4-boronic acid
Molecular formula: C5H5BO3S
Molecular weight: 155.97

Names & synonyms

2-formylthiophene-4-boronic acid175592-59-3(5-formylthiophen-3-yl)boronic Acid5-Formylthiophene-3-boronic acid5-Formylthiophen-3-ylboronic acid(5-formyl-3-thienyl)boronic acidMFCD03002365Boronic acid, B-(5-formyl-3-thienyl)-2-FORMYL-4-THIOPHENEBORONIC ACID5-formyl-3-thiopheneboronic acid5-FORMYLTHIOPHEN-3-BORONIC ACIDSCHEMBL8831

Show more names

AKOS BRN-0508RARECHEM AH PB 01755-ForMyl-3-thienylboronic acid2-FORMYL-THIENYL-4-BORONIC ACID(2-Formylthien-4-yl)boronic acid(2-Formylthiophen-4-yl)boronic acid

2-formyl-4-thiopheneboronicacid5-Formylthiophen-3-ylboronicacidDTXSID70454556ZCUFJAORCNFWOF-UHFFFAOYSA-N2-formyl thiophene-4-boronic acid5-Formyl-thiophene-3-boronic acidAHA59259SBB066383

Database identifiers

CAS: 175592-59-3
PubChem CID: 11084115
DTXSID: DTXSID70454556
EC Number: 691-947-4
Nikkaji: J1.085.492J

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

Melting point: 270 · 270-272°C
Boiling point: 395.1 · 395.1±52.0 °C(Predicted)
Density: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 7.55 · 7.55±0.10(Predicted)
color: Beige
Water Solubility: Slightly soluble in water.
InChI: 1S/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H
InChIKey: ZCUFJAORCNFWOF-UHFFFAOYSA-N
SMILES: OB(O)c1csc(C=O)c1
CAS DataBase Reference: 175592 · 175592-59-3(CAS DataBase Reference)
UNSPSC Code: 12352106 · 12352106
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
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)；Acute Tox. 4 (88.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (88.9%)；STOT SE 3 (97.8%)