1-(4-Bromophenyl)cyclobutane-1-carboxylic acid

HCID 16769919

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Grundinformationen

CAS: 151157-49-2
Standard-SMILES: O=C(O)C1(c2ccc(Br)cc2)CCC1
InChIKey: CZCIJQWZBHQMNS-UHFFFAOYSA-N
Summenformel: C11H11BrO2
Durchschnittliche Molmasse: 255,11 g/mol
Monoisotopische Masse: 253,99424

Namen und Bezeichner

Bevorzugter Name: 1-(4-Bromophenyl)cyclobutane-1-carboxylic acid
IUPAC: 1-(4-bromophenyl)cyclobutane-1-carboxylic acid
Englischer Name: 1-(4-Bromophenyl)cyclobutanecarboxylic acid
Summenformel: C11H11BrO2
Molmasse: 255.11

Namen und Synonyme

1-(4-bromophenyl)cyclobutanecarboxylic acid151157-49-21-(4-BROMOPHENYL)CYCLOBUTANE-1-CARBOXYLIC ACIDDTXSID60588137RefChem:425067DTXCID70538901827-907-1MFCD08443165CYCLOBUTANECARBOXYLIC ACID, 1-(4-BROMOPHENYL)-1-(4-Bromophenyl)cyclobutanecarboxylicacidKML-43SCHEMBL1492737

Weitere Namen anzeigen

1-(4-Bromophenyl)cyclobutanecarboxylic acid - [B15610]

AKOS BBV-005550CML-042CZCIJQWZBHQMNS-UHFFFAOYSA-NCS-M1261AKOS000125868PB17525NCGC00334064-01SY107071

Datenbank-Bezeichner

CAS: 151157-49-2
PubChem CID: 16769919
DTXSID: DTXSID60588137
EC Number: 827-907-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Siedepunkt: 367.3 · 367.3±35.0 °C(Predicted)
Dichte: 1.574 · 1.574±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.26 · 4.26±0.20(Predicted)
InChI: InChI=1S/C11H11BrO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKey: CZCIJQWZBHQMNS-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Br)C=C2)(C(O)=O)CCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

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