CAS 142273-84-5 3-(Methoxymethyl)benzeneboronic acid (HCID 3825855)

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Basic information

CAS: 142273-84-5
Standard SMILES: COCc1cccc(B(O)O)c1
InChIKey: XOSGESMDNPVZKS-UHFFFAOYSA-N
Molecular formula: C8H11BO3
Average molar mass: 165.98 g/mol
Monoisotopic mass: 166.0801244

Names & identifiers

Preferred name: 3-(Methoxymethyl)benzeneboronic acid
IUPAC: [3-(methoxymethyl)phenyl]boronic acid
English name: 3-Methoxymethylphenylboronic acid
Molecular formula: C8H11BO3
Molecular weight: 165.98

Names & synonyms

3-(Methoxymethyl)benzeneboronic acidRefChem:495445800-834-2142273-84-53-Methoxymethylphenylboronic acid(3-(Methoxymethyl)phenyl)boronic acid3-(METHOXYMETHYL)PHENYLBORONIC ACID[3-(methoxymethyl)phenyl]boronic AcidMFCD03412069Boronic acid, B-[3-(methoxymethyl)phenyl]-(3-(Methoxymethyl)phenyl)boronic acid;3-Methoxymethylphenylboronic acidSCHEMBL8528

Show more names

AKOS BRN-02123-(Methoxymethyl)Phenylboronic3-Methoxymethylphenylboronicaci3-Methoxymethylphebylboronic acid3-METHOXYMETHYLBENZENEBORONIC ACID3-Methoxymethylphenylboronic acid ,97%

DTXSID10396941XOSGESMDNPVZKS-UHFFFAOYSA-N3-Methoxymethyl benzeneboronic acid(3-(Methoxymethyl)phenyl)boronicacidAKOS004116557PS-9447SY129263{3-[(methyloxy)methyl]phenyl}boronic acid

Database identifiers

CAS: 142273-84-5
PubChem CID: 3825855
DTXSID: DTXSID10396941
EC Number: 800-834-2

Properties

Computed structural properties

Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 129

Physicochemical properties

Boiling point: 310.3 · 310.3±44.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.32 · 8.32±0.10(Predicted)
form: solid
color: White
CAS DataBase Reference: 142273 · 142273-84-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2931900090 · 2931900090

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 (100%): 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 1 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.