4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

HCID 21865588
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Basic information

CAS
481681-02-1
Standard SMILES
OCc1cc(B(O)O)ccc1F
InChIKey
PWMOQHMTXJYUGE-UHFFFAOYSA-N
Molecular formula
C7H8BFO3
Average molar mass
169.95 g/mol
Monoisotopic mass
170.0550524

Names & identifiers

Preferred name
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
IUPAC
[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
English name
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
Molecular formula
C7H8BFO3
Molecular weight
169.95

Names & synonyms

4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACIDRefChem:523161692-485-6481681-02-1[4-Fluoro-3-(Hydroxymethyl)Phenyl]Boronic Acid4-FLUORO-3-(HYDROXYMETHYL)PHENYLBORONIC ACID4-fluoro-3-hydroxymethylphenylboronic acidMFCD08235075(4-fluoro-3-(hydroxymethyl)phenyl)boronic acidSCHEMBL10192784-Fluoro-3-hydroxymethyl benzene boronic acid4-fluoro-3-hydroxymethyl-benzene-boronic acid
Show more names
uoro-3-(hydroxymethyL4-Fluoro-3-(hydroxymethyl)phenyl4-Fluoro-3-(hydroxymethyl)phenylboronic4-Fluoro-3-(hydroxymethyl)phenyl]boronicaci4-Fluoro-3-(hydroxymethyl)benzeneboronicacid98%4-Fluoro-3-(hydroxymethyl)benzeneboronic acid 98%[4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid ,98%Boronic acid, B-[4-fluoro-3-(hydroxymethyl)phenyl]-
N123044-Fluoro-3-(hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride)AMY29940Boronic acid, [4-fluoro-3-(hydroxymethyl)phenyl]-SCHEMBL29951218DTXSID60619071SBB088349AKOS006222936

Database identifiers

CAS
481681-02-1
PubChem CID
21865588
DTXSID
DTXSID60619071
EC Number
692-485-6

Properties

Computed structural properties

Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
124 · 124-126
Boiling point
365.8 · 365.8±52.0 °C(Predicted)
Density
1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.
Keep Cold
pka
8.39 · 8.39±0.10(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Safety data

hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Keep Cold
Hazard statements
H315-H319-H335

Chemistry & industry

Applications

Usessuzuki reaction

Upstream & downstream products

Suppliers86 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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