Grundinformationen
- Standard-SMILES
Brc1ccsc1- InChIKey
XCMISAPCWHTVNG-UHFFFAOYSA-N- Summenformel
- C4H3BrS
- Durchschnittliche Molmasse
- 163,04 g/mol
- Monoisotopische Masse
- 161,9138832
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromothiophene
- IUPAC
- 3-bromothiophene
- Lokaler Name
- 3-Bromthiophen
- Englischer Name
- 3-Bromothiophene
- Summenformel
- C4H3BrS
- Molmasse
- 163.04
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
872-31-1- PubChem CID
- 13383
- DTXSID
DTXSID2022129- UNII
- G818Z74YV0
- EC Number
- 212-821-3
- Nikkaji
- J25.465G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 46,8
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -10 °C · <-10°C
- Siedepunkt
- 150 °C · 150 °C (lit.)
- Dichte
- 1.74 g/mL · 1.74 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.591(lit.)
- Flammpunkt
- 140 °F · 140 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- Wichte
- 1.74 · 1.740
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- IMMISCIBLE
- BRN
- 105338 · 105338
- InChI
- 1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
- InChIKey
- XCMISAPCWHTVNG-UHFFFAOYSA-N
- SMILES
- Brc1ccsc1
- CAS Datenbank
- 872 · 872-31-1(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Thiophene, 3-bromo-(872-31-1)
- EPA chemische Informationen
- 3 · 3-Bromothiophene (872-31-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2929 6.1/PG 2
- hs_code
- 29349990
- risk_code
- 10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37
- hazard_code
- T,Xi,N,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3-Bromothiophene is used in the preparation of derivatives such as thienylenic alpha, μ-diformyl-alpha-oligothiophenes and 3-lithiothiophene. It is also used in the synthesis of 3-lithiothiophene by reacting with n-butyllithium.
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