2,3,4-tribromothiophene

• ChemBase ID: 7825
• Molecular Formular: C4HBr3S
• Molecular Mass: 320.82774
• Monoisotopic Mass: 317.73490703
• SMILES: c1(c(csc1Br)Br)Br
• Canonical SMILES: Brc1c(Br)csc1Br
• InChI: InChI=1S/C4HBr3S/c5-2-1-8-4(7)3(2)6/h1H
• InChIKey: ZDXQFDMBZUQHOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-tribromothiophene
• IUPAC Traditional name: 2,3,4-tribromothiophene
• Synonyms: 2,3,5-TRIBROMOTHIOPHENE; 2,3,4-Tribromothiophene; 2,3,4-Tribromothiophene; 2,3,4-三溴噻吩

Database IDs

• CAS Number: 3141-25-1
• EC Number: 221-545-2
• MDL Number: MFCD00041210
• Beilstein Number: 111770
• PubChem SID: 160971132
• PubChem CID: 76593

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2259417
• LogD (pH = 7.4): 4.2259417
• Log P: 4.2259417
• Molar Refractivity: 45.1921 cm^3
• Polarizability: 18.419016 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-45°C; 43-45°C
• Boiling Point: 150-152°C/20mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22
• Safety Statements: 22-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332
• GHS Precautionary statements: P261-P280-P302+P352-P304+P340-P322-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05223706

MP Biomedicals Rare Chemical collection