2-Bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

HCID 185352CAS 94581-95-0

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Grundinformationen

Standard-SMILES: Brc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIKey: HNMURGGRBMOMLO-UHFFFAOYSA-N
Summenformel: C12H7BrS3
Durchschnittliche Molmasse: 327,3 g/mol
Monoisotopische Masse: 325,88932532

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
IUPAC: 2-bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Englischer Name: 2-Bromoterthiophene
Summenformel: C12H7BrS3
Molmasse: 327.28

Namen und Synonyme

94581-95-05-bromo-2,2':5',2''-terthiophene2-Bromo-terthiophene2-bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiopheneMFCD034146772-bromo-5-[5-(2-thienyl)-2-thienyl]thiophene.alpha.-T Br deriv.SCHEMBL498603DTXSID70915435HNMURGGRBMOMLO-UHFFFAOYSA-NDJA095185-Bromo-2,2':5',2"-terthiophene

Weitere Namen anzeigen

2-Bromoterthiophene5-Bromo-α-terthienyl5-Bromo-2,2′:5′,2′′-terthiophene2-Bromo-5,2′:5′,2′′-terthiophene

AKOS024405377AS-39318SY2788782,2':5',2''-Terthiophene, 5-bromo-2-Bromo-terthiophene, stab. with Cu+HQ+MgO5-Bromo-2,2':5',2''-terthiophene, 97%F4686711~5~-Bromo-1~2~,2~2~:2~5~,3~2~-terthiophene

Datenbank-Bezeichner

CAS: 94581-95-0
PubChem CID: 185352
DTXSID: DTXSID70915435
EC Number: 804-612-6
Nikkaji: J1.246.109G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 84,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 135 · 135-138°C
Siedepunkt: 389.9 · 389.9±37.0 °C(Predicted)
Dichte: 1.599 · 1.599±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: solid
InChI: 1S/C12H7BrS3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H
InChIKey: HNMURGGRBMOMLO-UHFFFAOYSA-N
SMILES: Brc1ccc(s1)-c2ccc(s2)-c3cccs3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-37/38-41
hazard_code: T
safety_code: 26-39-45
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3