Benzo(b)thiophene, 3-bromo-

HCID 123250CAS 7342-82-7

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Grundinformationen

Standard-SMILES: Brc1csc2ccccc12
InChIKey: SRWDQSRTOOMPMO-UHFFFAOYSA-N
Summenformel: C8H5BrS
Durchschnittliche Molmasse: 213,1 g/mol
Monoisotopische Masse: 211,92953326

Namen und Bezeichner

Bevorzugter Name: Benzo(b)thiophene, 3-bromo-
IUPAC: 3-bromo-1-benzothiophene
Englischer Name: 3-Bromo-1-benzothiophene
Summenformel: C8H5BrS
Molmasse: 213.1

Namen und Synonyme

7342-82-73-Bromobenzothiophene3-Bromo-benzo[b]thiopheneBenzo[b]thiophene, 3-bromo-Benzo(b)thiophene, 3-bromo-DTXSID802236543-Bromo-benzo(b)thiopheneRefChem:565171DTXCID10146145680-931-23-Bromobenzo[b]thiophene3-Bromo-1-benzothiophene

Weitere Namen anzeigen

BUTTPARK 147\16-62BromothianaphtheneTIMTEC-BB SBB0034153-BroMothianaphthene 95%3-Bromo-1-benzothiophenec

3-BromothianaphtheneMFCD00023009Benzo[b]thiophene, 3-bromo-,3-bromo benzo[b]thiopheneBIDD:GT0742SCHEMBL264791B55893-bromo benzothiophene

Datenbank-Bezeichner

CAS: 7342-82-7
PubChem CID: 123250
DTXSID: DTXSID80223654
EC Number: 680-931-2
Nikkaji: J1.051.045G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-156 °C
Siedepunkt: 269 °C/752.5 · 269 °C/752.5 mmHg (lit.)
Dichte: 1.629 g/mL · 1.629 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.668(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Sparingly Soluble (0.14 g/L) (25°C).
Aggregatzustand: clear liquid
Farbe: Light yellow to Brown
InChI: InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey: SRWDQSRTOOMPMO-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C(Br)=CS2
CAS Datenbank: 7342 · 7342-82-7(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzo[b]thiophene, 3-bromo-,(7342-82-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.