2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 46738005CAS 882678-96-8

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Grundinformationen

Standard-SMILES: Cc1c(N)cccc1B1OC(C)(C)C(C)(C)O1
InChIKey: JMKMGPGFYMANCA-UHFFFAOYSA-N
Summenformel: C13H20BNO2
Durchschnittliche Molmasse: 233,12 g/mol
Monoisotopische Masse: 233,158709

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Englischer Name: 3-Amino-2-methylphenylboronic acid, pinacol ester
Summenformel: C13H20BNO2
Molmasse: 233.11

Namen und Synonyme

882678-96-82-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID20674161RefChem:263232DTXCID30624910691-596-73-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER3-Amino-2-methylphenylboronic acid pinacol esterMFCD11054038(3-AMINO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTERAM807598[2-Methyl-3-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)phenyl]aMine

Weitere Namen anzeigen

187589(3-amino-3-methylphenyl)boronic acid3-AMino-2-Metyl phenyl boronicacid pinacol esterBenzenaMine, 2-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline - [M87710]

SCHEMBL106726SCHEMBL29503402JMKMGPGFYMANCA-UHFFFAOYSA-N2-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamineAKOS005259522AS-31281SY023888CS-0008630

Datenbank-Bezeichner

CAS: 882678-96-8
PubChem CID: 46738005
DTXSID: DTXSID20674161
EC Number: 691-596-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 44,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 277

Physikochemische Eigenschaften

Siedepunkt: 365.3 · 365.3±35.0 °C(Predicted)
Dichte: 1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 4.44 · 4.44±0.10(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C13H20BNO2/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey: JMKMGPGFYMANCA-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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, 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 4 reports by companies from 3 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.