2,3-Dibromo-1-benzothiophene
Grundinformationen
- CAS
6287-82-7- Standard-SMILES
Brc1sc2ccccc2c1Br- InChIKey
TWZSIAFEFBKCNN-UHFFFAOYSA-N- Summenformel
- C8H4Br2S
- Durchschnittliche Molmasse
- 291,99 g/mol
- Monoisotopische Masse
- 289,84005
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dibromo-1-benzothiophene
- IUPAC
- 2,3-dibromo-1-benzothiophene
- Englischer Name
- 2,3-Dibromobenzo[b]thiophene
- Summenformel
- C8H4Br2S
- Molmasse
- 291.99
Namen und Synonyme
2,3-dibromo-1-benzothiopheneRefChem:441965626-213-42,3-Dibromobenzo[b]thiophene6287-82-72,3-DibromobenzothiopheneMFCD067981192,3-DibromothianaphtheneC8H4Br2SBenzo(b)thiophene, 2,3-dibromo-dibromobenzothiopheneNQE8BTR5VU
Weitere Namen anzeigen
Benzo[b]thiophene, 2,3-dibromo-2 3-DIBROMOBENZO(B)THIOPHENE 972 3-DIBROMOBENZO(B)THIOPHENE 97 ISO 9001：2015 REACH
UNII-NQE8BTR5VUNSC12000NSC-120002,3-Dibromobenzo(b)thiophene2,3-Dibromobenzo[b]thiophene, 97%AKOS015888997NSC 12000SCHEMBL309376
Datenbank-Bezeichner
- CAS
6287-82-7- PubChem CID
- 94977
- DTXSID
DTXSID60212041- UNII
- NQE8BTR5VU
- EC Number
- 626-213-4
- Nikkaji
- J2.296.793B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 28,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-62 °C(lit.)
- Siedepunkt
- 345.1 · 345.1±22.0 °C(Predicted)
- Dichte
- 2.008 · 2.008±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Dark green
- InChI
- InChI=1S/C8H4Br2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
- InChIKey
- TWZSIAFEFBKCNN-UHFFFAOYSA-N
- SMILES
- C12=CC=CC=C1C(Br)=C(Br)S2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 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
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)；Eye Irrit. 2A (100%)；Aquatic Chronic 4 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29349990
- risk_code
- 25-36
- hazard_code
- T
- safety_code
- 26-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Eye Irrit. 2
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