11-Bromo-1-undecanethiol

HCID 21477418

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Grundinformationen

CAS: 116129-34-1
Standard-SMILES: SCCCCCCCCCCCBr
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
Summenformel: C11H23BrS
Durchschnittliche Molmasse: 267,27 g/mol
Monoisotopische Masse: 266,07038

Namen und Bezeichner

Bevorzugter Name: 11-Bromo-1-undecanethiol
IUPAC: 11-bromoundecane-1-thiol
Englischer Name: 11-BroMo-1-undecanethiol
Summenformel: C11H23BrS
Molmasse: 267.27

Namen und Synonyme

11-Bromo-1-undecanethiolRefChem:437219631-223-711-Bromoundecane-1-thiol116129-34-11-Undecanethiol, 11-bromo-C11H23BrSSCHEMBL420348DTXSID0061440411-Bromo-1-undecanethiol, 99%MFCD12406810AS-79987

Weitere Namen anzeigen

11-Bromo-1-undecanethiol 99%

H37004F865529

Datenbank-Bezeichner

CAS: 116129-34-1
PubChem CID: 21477418
DTXSID: DTXSID00614404
EC Number: 631-223-7
Nikkaji: J1.075.420H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 10
Schwere Atome: 13
Formalladung: 0
Komplexität: 86

Physikochemische Eigenschaften

Dichte: 1.128 g/mL · 1.128 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.501
storage temp.: -20 °C · -20°C
Aggregatzustand: liquid
InChI: 1S/C11H23BrS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
InChIKey: IKVISLWYYHGTTN-UHFFFAOYSA-N
SMILES: SCCCCCCCCCCCBr

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3334
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBrUDT forms a protective SAM on gold nanoparticles, which can be potentially used in biomedical applications for the fabrication of in vivo sensors. It can also be mixed with dodecanethiol, which can be coated on gold nanoparticles for the synthesis of gasotransmitters.