Bis(1-methylethyl) B-phenylboronate

HCID 569210

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Basic information

CAS: 1692-26-8
Standard SMILES: CC(C)OB(OC(C)C)c1ccccc1
InChIKey: DQKUIEDINFBQDR-UHFFFAOYSA-N
Molecular formula: C12H19BO2
Average molar mass: 206.09 g/mol
Monoisotopic mass: 206.14781

Names & identifiers

Preferred name: Bis(1-methylethyl) B-phenylboronate
IUPAC: phenyl-di(propan-2-yloxy)borane
English name: diisopropoxyphenylborane
Molecular formula: C12H19BO2
Molecular weight: 206.09

Names & synonyms

Diisopropoxyphenylborane1692-26-8DTXSID701292851Bis(1-methylethyl) B-phenylboronateRefChem:568533DTXCID801723417630-642-2phenyl-di(propan-2-yloxy)boranePhenyldiisopropoxyboraneBenzeneboronic acid, diisopropyl esterdiisopropyl benzeneboronateDiisopropyl phenylboronate #

Show more names

Diisopropyl phenylboronateBis(1-methylethoxy)phenylboraneBoronic acid, B-phenyl-, bis(1-methylethyl) ester

Boronic acid, phenyl-, bis(1-methylethyl) esterDipropan-2-yl phenylboronateSCHEMBL2400555

Database identifiers

CAS: 1692-26-8
PubChem CID: 569210
DTXSID: DTXSID701292851
EC Number: 630-642-2
Nikkaji: J123.912K

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 155

Physicochemical properties

Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H226-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · 1993
HazardClass: 3.2 · 3.2
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；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]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.；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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

ridadr: 1993
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3.2
packing_group: III
Hazard statements: H319-H335-H226-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362