tetrabromothiophene

• ChemBase ID: 8034
• Molecular Formular: C4Br4S
• Molecular Mass: 399.7238
• Monoisotopic Mass: 395.645419
• SMILES: c1(c(c(sc1Br)Br)Br)Br
• Canonical SMILES: Brc1sc(c(c1Br)Br)Br
• InChI: InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
• InChIKey: AVPWUAFYDNQGNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabromothiophene
• IUPAC Traditional name: thiophene, tetrabromo-
• Synonyms: Tetrabromothiophene; 2,3,4,5-Tetrabromothiophene; Tetrabromothiophene; Perbromothiophene; 四溴噻吩; 四溴噻酚

Database IDs

• CAS Number: 3958-03-0
• EC Number: 223-554-7
• MDL Number: MFCD00005419
• Beilstein Number: 383664
• PubChem SID: 160971341; 24900277
• PubChem CID: 77565

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1606903
• LogD (pH = 7.4): 5.1606903
• Log P: 5.1606903
• Molar Refractivity: 51.9748 cm^3
• Polarizability: 21.734882 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 113-117°C; 116-118 °C(lit.); 116-118°C
• Boiling Point: 324-327°C; 326 °C(lit.); 326°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Grade: ReagentPlus®
• Empirical Formula (Hill Notation): C4Br4S

DETAILS

MP Biomedicals - 05219167

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T5400

Packaging
25 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC