2-(4-Chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 3767641

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Grundinformationen

CAS: 445303-11-7
Standard-SMILES: Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl
InChIKey: IVNMVIMOKWBLKH-UHFFFAOYSA-N
Summenformel: C13H18BClO2
Durchschnittliche Molmasse: 252,55 g/mol
Monoisotopische Masse: 252,1088377

Namen und Bezeichner

Bevorzugter Name: 2-(4-Chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Summenformel: C13H18BClO2
Molmasse: 252.54

Namen und Synonyme

445303-11-72-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:457230877-807-71,3,2-Dioxaborolane, 2-(4-chloro-3-methylphenyl)-4,4,5,5-tetramethyl-MFCD18729907SCHEMBL4425474SCHEMBL30622816DTXSID50396142IVNMVIMOKWBLKH-UHFFFAOYSA-NVSA303112-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Weitere Namen anzeigen

DA-28235CS-0188967E91639EN300-12619916F627121Z20499177122-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane2-(4-chloro-3-methyl-phenyl)-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane

Datenbank-Bezeichner

CAS: 445303-11-7
PubChem CID: 3767641
DTXSID: DTXSID50396142
EC Number: 877-807-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 277

Physikochemische Eigenschaften

Siedepunkt: 332 · 332.0±35.0 °C(Predicted)
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.