5-Bromo-2-isopropoxybenzonitrile

HCID 3262494

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Grundinformationen

CAS: 515832-52-7
Standard-SMILES: CC(C)Oc1ccc(Br)cc1C#N
InChIKey: YRPPYKWHWKFYGJ-UHFFFAOYSA-N
Summenformel: C10H10BrNO
Durchschnittliche Molmasse: 240,1 g/mol
Monoisotopische Masse: 238,99458

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-isopropoxybenzonitrile
IUPAC: 5-bromo-2-propan-2-yloxybenzonitrile
Englischer Name: 5-Bromo-2-isopropoxy-benzonitrile
Summenformel: C10H10BrNO
Molmasse: 240.1

Namen und Synonyme

5-bromo-2-isopropoxybenzonitrile515832-52-7DTXSID90390780RefChem:301683DTXCID403416415-Bromo-2-Isopropoxy-BenzonitrileMFCD022574415-bromo-2-propan-2-yloxybenzonitrile5-bromo-2-(propan-2-yloxy)benzonitrile5-bromo-2-(methylethoxy)benzenecarbonitrileSCHEMBL1293570YRPPYKWHWKFYGJ-UHFFFAOYSA-N

Weitere Namen anzeigen

AKOS B0059265-bromo-2-propan-2-yloxy-benzonitrileBenzonitrile, 5-bromo-2-(1-methylethoxy)-

ALBB-008948BBL016900CL9018SBB029755STK436806AKOS000303816AS-46171SY101105

Datenbank-Bezeichner

CAS: 515832-52-7
PubChem CID: 3262494
DTXSID: DTXSID90390780
EC Number: 678-705-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 33 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 208

Physikochemische Eigenschaften

Siedepunkt: 308.5 · 308.5±22.0 °C(Predicted)
Dichte: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C

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)

Aggregated GHS information provided per 4 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.