2-(Hydroxymethyl)phenylboronic Acid

HCID 4374262
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Basic information

CAS
87199-14-2
Standard SMILES
OCc1ccccc1B(O)O
InChIKey
AFHOBSCDNXGFMO-UHFFFAOYSA-N
Molecular formula
C7H9BO3
Average molar mass
151.96 g/mol
Monoisotopic mass
152.06447455

Names & identifiers

Preferred name
2-(Hydroxymethyl)phenylboronic Acid
IUPAC
[2-(hydroxymethyl)phenyl]boronic acid
English name
2-Hydroxymethylphenylboronic acid
Molecular formula
C7H9BO3
Molecular weight
151.96

Names & synonyms

2-(Hydroxymethyl)phenylboronic acidRefChem:461092674-848-087199-14-22-hydroxymethylphenylboronic acid(2-(Hydroxymethyl)phenyl)boronic acid[2-(hydroxymethyl)phenyl]boronic Acid2-(hydroxymethyl)benzeneboronic acidMFCD02258966o-(hydroxymethyl)phenylboronic acidSCHEMBL8530DTXSID20402562
Show more names
2-Hydroxymethylpheny2-HydroMethylphenylboronicacid2-Hydroxymethylphenylboronic acid，98%2-(Hydroxymethyl)phenylboronic acid ,97%Boronic acid, B-[2-(hydroxymethyl)phenyl]-2-(Hydroxymethyl)benzeneboronicacidmonocyclicester2-HydroxyMethylphenylboronic acid 1-Hydroxy-2,1-benzoxaborolane
2-(hydroxymethyl)-phenylboronic acidAKOS000285067GS-6630H1345EN300-6769108Boronic acid, [2-(hydroxymethyl)phenyl]-2-hydroxymSCHEMBL29377890

Database identifiers

CAS
87199-14-2
PubChem CID
4374262
DTXSID
DTXSID20402562
EC Number
674-848-0
Nikkaji
J1.309.262A

Properties

Computed structural properties

Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
98 · 98-100°
Boiling point
379.8 · 379.8±44.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal
pka
8.48 · 8.48±0.58(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.1%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

Safety data

hs_code
29163990
risk_code
36/37/38-41-37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-36-39-60-37

Chemistry & industry

Applications · 3 items

Usessuzuki reaction

Uses2-(Hydroxymethyl)benzeneboronic acid participates in the reactivity of C-Terminal Cysteines with HNO.

Uses2-Hydroxymethylphenylboronic Acid is used in preparation of benzooxaborolol compounds and application in agricultural fungicide.

Upstream & downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

50 records
New reaction record

Compound notes

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