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Potassium 3-hydroxyphenyltrifluoroborate

HCID 23697347
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Basic information

CAS
871231-45-7
Standard SMILES
Oc1cccc([B-](F)(F)F)c1.[K+]
InChIKey
WJVQWTFIFFNYGL-UHFFFAOYSA-N
Molecular formula
C6H5BF3KO
Average molar mass
200.01 g/mol
Monoisotopic mass
200.0022609

Names & identifiers

Preferred name
Potassium 3-hydroxyphenyltrifluoroborate
IUPAC
potassium trifluoro-(3-hydroxyphenyl)boranuide
English name
Potassium 3-hydroxyphenyltrifluoroborate
Molecular formula
C6H5BF3O.K
Molecular weight
200.008

Names & synonyms

Potassium 3-hydroxyphenyltrifluoroborateRefChem:867600625-348-6871231-45-7Potassium trifluoro(3-hydroxyphenyl)boratepotassium trifluoro(3-hydroxyphenyl)boranuideMFCD07784422potassium;trifluoro-(3-hydroxyphenyl)boranuideSCHEMBL909968DTXSID90635709Potassium trifluoro(3-hydroxyphenyl)AKOS027327694
Show more names
POTASSIUM 3-HYDROXYPHENYLTRIFLUOROBORATE ISO 9001:2015 REACH
AS-2581Potassium (3-hydroxyphenyl)trifluoroborateSY0296443-Hydroxyphenyltrifluoroborate potassium saltCS-0156882Potassium 3-hydroxyphenyltrifluoroborate, 96%Potassium trifluoro(3-hydroxyphenyl)borate(1-)EN300-2170308

Database identifiers

CAS
871231-45-7
PubChem CID
23697347
DTXSID
DTXSID90635709
EC Number
625-348-6

Properties

Computed structural properties

Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
141

Physicochemical properties

Melting point
170 · 170-190°C(lit.)
storage temp.
Inert atmosphere,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
HS Code
2840209090 · 2840209090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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 39 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

wgk
3
hs_code
2840209090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Related reactions

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Compound notes

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