Grundinformationen
- Standard-SMILES
Brc1ccc(Br)s1- InChIKey
KBVDUUXRXJTAJC-UHFFFAOYSA-N- Summenformel
- C4H2Br2S
- Durchschnittliche Molmasse
- 241,93 g/mol
- Monoisotopische Masse
- 239,82439526
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dibromothiophene
- IUPAC
- 2,5-dibromothiophene
- Lokaler Name
- 2,5-Dibromthiophen
- Englischer Name
- 2,5-Dibromothiophene
- Summenformel
- C4H2Br2S
- Molmasse
- 241.93
Namen und Synonyme
2,5-DIBROMOTHIOPHENE3141-27-3Thiophene, 2,5-dibromo-UNII-F0033K8CXMF0033K8CXMNSC 4488NSC-4488EINECS 221-547-3AI3-08106DTXSID3062863Thiophene, 2,5dibromoRefChem:82782
Weitere Namen anzeigen
DibromothiopheneS0505TH-2Bra2,5 DBT2,5-Dibromthiophen2,5-Bromo Thiophene2,5-dibromo-thiophen2,5-Dibromlthiophene
DTXCID8038358221-547-3InChI=1/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2KBVDUUXRXJTAJC-UHFFFAOYSA-N2,5-dibromo-thiopheneMFCD0000542073061-85-5NSC4488
Datenbank-Bezeichner
- CAS
3141-27-3- PubChem CID
- 18453
- DTXSID
DTXSID3062863- UNII
- F0033K8CXM
- EC Number
- 221-547-3
- Nikkaji
- J25.468A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 58,7
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP4.15
Vapor Pressure0.06 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -6 °C · -6 °C (lit.)
- Siedepunkt
- 211 °C · 211 °C (lit.)
- Dichte
- 2.147 g/mL · 2.147 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.627 · 1.627-1.63
- Flammpunkt
- 99 °C · 99 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Liquid
- Farbe
- Clear pale yellow to brown
- Wichte
- 2.147 · 2.147
- Wasserlöslichkeit
- practically insoluble
- BRN
- 109899 · 109899
- InChI
- 1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
- InChIKey
- KBVDUUXRXJTAJC-UHFFFAOYSA-N
- SMILES
- Brc1ccc(Br)s1
- CAS Datenbank
- 3141 · 3141-27-3(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Thiophene, 2,5-dibromo-(3141-27-3)
- EPA chemische Informationen
- 2 · Thiophene, 2,5-dibromo- (3141-27-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (12.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2,5-Dichlorothiophene.
Hazard Classes and CategoriesAcute Tox. 2 (12.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2810
- hs_code
- 29349990
- risk_code
- 68-43-36/37/38-28-20/21
- hazard_code
- T+,Xi
- hazard_note
- Irritant
- safety_code
- 45-36/37/39-28A-26-36
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationThiophene, 2,5-dibromo-: ACTIVE
Anwendungen
Verwenden2,5-Dibromothiophene, is mainly used as pharmaceutical intermediate and synthesis intermediate.
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