2-Brom-5-chlorthiophen

2-Bromo-5-chlorothiophene

HCID 76133CAS 2873-18-9

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Grundinformationen

Standard-SMILES: Clc1ccc(Br)s1
InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N
Summenformel: C4H2BrClS
Durchschnittliche Molmasse: 197,48 g/mol
Monoisotopische Masse: 195,87491084

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-chlorothiophene
IUPAC: 2-bromo-5-chlorothiophene
Lokaler Name: 2-Brom-5-chlorthiophen
Englischer Name: 2-Bromo-5-chlorothiophene
Summenformel: C4H2BrClS
Molmasse: 197.48

Namen und Synonyme

2-Bromo-5-chlorothiophene2873-18-9Thiophene, 2-bromo-5-chloro-2-Chloro-5-bromothiophene5-Bromo-2-chlorothiophene47FH8PL6YTEINECS 220-708-5DTXSID70182887RefChem:466788DTXCID10105378220-708-5MFCD00014523

Weitere Namen anzeigen

2-BROMO-5-CHLOROTHIORivaroxaban Impurity 123α-Bromo-α-chlorothiophene2-CHLORO-5-BROMO THIOPHENEThiophene,2-bromo-5-chloro-2-Bromo-5-chlorothiophene 98%2-Bromo-5-chlorothiophene >2-Bromo-5-chlorothiophene,95%

2-bromo-5-chloro-thiopheneUNII-47FH8PL6YT5-bromo-2-chloro-thiopheneBIDD:GT0079SCHEMBL153465SCHEMBL1561502SCHEMBL216814602-Bromo-5-chlorothiophene, 98%

Datenbank-Bezeichner

CAS: 2873-18-9
PubChem CID: 76133
DTXSID: DTXSID70182887
UNII: 47FH8PL6YT
EC Number: 220-708-5
Nikkaji: J306.791B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 68,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear light yellow or pink-orange liquid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -20 °C · -20°C
Siedepunkt: 69 · 69-70 °C/18 mmHg (lit.)
Dichte: 1.803 g/mL · 1.803 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.596(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: liquid
Wichte: 1.803 · 1.803
Farbe: Light yellow to Brown
BRN: 109897 · 109897
InChI: 1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N
SMILES: Clc1ccc(Br)s1
CAS Datenbank: 2873 · 2873-18-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Thiophene.

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29349990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36-24/25
hazard_class: 6.1
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-5-chlorothiophene was used in the synthesis of monomer of 1,4-bis(5-chlorothiophene)-buta-1,3-diyne and 5-chloro-2-[(trimethylsilyl)-ethynyl]thiophene.