3-Borono-4-fluorobenzoic acid

HCID 21865593CAS 874219-59-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(F)c(B(O)O)c1
InChIKey
YLZPFWJYAFZZHF-UHFFFAOYSA-N
Molecular formula
C7H6BFO4
Average molar mass
183.93 g/mol
Monoisotopic mass
184.03431729

Names & identifiers

Preferred name
3-Borono-4-fluorobenzoic acid
IUPAC
3-borono-4-fluorobenzoic acid
English name
5-Carboxy-2-fluorophenylboronic acid
Molecular formula
C7H6BFO4
Molecular weight
183.93

Names & synonyms

874219-59-73-borono-4-fluorobenzoic acidDTXSID20619072RefChem:277136DTXCID205698265-Carboxy-2-fluorophenylboronic acidMFCD084360653-borono-4-fluoro-benzoic acidSCHEMBL40378012-FLUORO-5-CARBOXYBENZENEBORONIC ACIDCS-W017031AB44936
Show more names
5-Carboxy-2-fLBenzoic acid, 3-borono-4-fluoro-2-FLUORO-5-CARBOXYPHENYLBORONIC ACID5-Carboxy-2-fluorobenzeneboronic acid2-Fluoro-5-carboxybenzeneboronicacid96%5-Carboxy-2-fluorobenzeneboronic acid 96%2-Fluoro-5-carboxybenzeneboronic acid 96%
AS-17809SY024019C3278N12115BCP218032-Fluoro-5-carboxybenzeneboronicacid2-Fluoro-5-carboxybenzeneboronic acid, 96%A842166

Database identifiers

CAS
874219-59-7
PubChem CID
21865593
DTXSID
DTXSID20619072
EC Number
690-780-4

Properties

Computed structural properties

Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
224 · 224-226
Boiling point
432.9 · 432.9±55.0 °C(Predicted)
Density
1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
pka
4.15 · 4.15±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Keep Cold
hazard_class
IRRITANT, KEEP COLD

Chemistry & industry

Applications

Usessuzuki reaction

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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