1-Bromoctan

1-Bromooctane

HCID 8140CAS 111-83-1
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Grundinformationen

Standard-SMILES
CCCCCCCCBr
InChIKey
VMKOFRJSULQZRM-UHFFFAOYSA-N
Summenformel
C8H17Br
Durchschnittliche Molmasse
193,12 g/mol
Monoisotopische Masse
192,05136

Namen und Bezeichner

Bevorzugter Name
1-Bromooctane
IUPAC
1-bromooctane
Lokaler Name
1-Bromoctan
Englischer Name
1-Bromooctane
Summenformel
C8H17Br
Molmasse
193.12

Namen und Synonyme

1-Bromooctane111-83-1n-Octyl bromideOctyl bromide1-OctylbromideOctane, 1-bromo-1-Bromo-octanebromooctanen-octylbromide1-octyl bromideMFCD00000276DTXSID3021938
Weitere Namen anzeigen
1-bromoctane1-BromoctanCaprylbromideOctoicbromide1-bromo-octan
Q382HPC6LC1-?Bromooctane(Octyl Bromide)NSC-9821Octane, bromo-1219803-37-88-bromooctane1-Bromo octaneNSC 9821

Datenbank-Bezeichner

CAS
111-83-1
PubChem CID
8140
DTXSID
DTXSID3021938
ChEMBL
CHEMBL156047
UNII
Q382HPC6LC
EC Number
203-912-9
Nikkaji
J1.989E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,9
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
6
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Density1.11 @25 °C
Boiling Point201.5 °C @760 [mm Hg]
Melting Point-55 °C
Vapor Pressure0.34 [mmHg]
Physical DescriptionColorless liquid; [Merck Index]
Kovats Retention Index · 3 Einträge

1138；1118；1119；1121；1122；1124；1126；1129；1130；1132；1133；1133；1132.5；1132

1136.2；1119；1142；1132

1368；1373；1351；1364；1365；1385

Physikochemische Eigenschaften

Schmelzpunkt
-55 °C · -55 °C
Siedepunkt
201 °C · 201 °C (lit.)
Dichte
1.118 g/mL · 1.118 g/mL at 25 °C (lit.)
Dampfdichte
6.7 · 6.7 (vs air)
Dampfdruck
0.34 mm · 0.34 mm Hg ( 25 °C)
Brechungsindex
20 · n20/D 1.452(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H400 (98.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (95.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 12 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

Regulatory Information · 3 Einträge

Chemical: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

Octane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral LD50 (rat) = 4,490 uL/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Bromohexane.
Hazard Classes and CategoriesAquatic Acute 1 (98.8%)；Aquatic Chronic 1 (95.7%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

15 [mg/m3]

170 [mg/m3]

990 [mg/m3]

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

Octane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
hs_code
29033036
RTECS-Nr.
RG8575000
risk_code
36/37/38-50/53

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in organic syntheses; [Merck Index]
General Manufacturing InformationOctane, 1-bromo-: ACTIVE
Anwendungen · 2 Einträge

BeschreibungDas 1-Bromoctan bildet eine farblose, wasserunlösliche Flüssigkeit. Die Verbindung besitzt nur wissenschaftliches Interesse.

Verwenden1-Bromooctane is used in organic synthesis. It is also used as an extraction solvent in the determination of volatile organic compounds present in water samples. Further, it is used in the preparation of quaternary ammonium chloride-modified poly(propylenimine) dendrimers.

Darstellung · 1 Eintrag

synthetische1-Bromooctane is prepared by reacting octanol with hydrobromic acid. After the sodium bromide was completely dissolved with sulfuric acid, n-octanol was added, heated to reflux for 7-8 hours, cooled and diluted with water, the organic phase was separated, washed with water, concentrated sulfuric acid, water, and 10% sodium carbonate solution in turn, and washed with anhydrous sulfuric acid. Sodium dry. Distillation of 196-200°C, or 91-93°C (2.93kPa) fraction, is the finished product of 1-bromooctane. The yield is over 90%.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
常州市信友物资有限公司0519-88861658 15351933796 · [email protected]

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