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72256-95-2 molecular structure
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2,4-dibromobenzene-1-sulfonyl chloride

ChemBase ID: 10394
Molecular Formular: C6H3Br2ClO2S
Molecular Mass: 334.41282
Monoisotopic Mass: 331.79090202
SMILES and InChIs

SMILES:
c1c(cc(c(c1)S(=O)(=O)Cl)Br)Br
Canonical SMILES:
Brc1ccc(c(c1)Br)S(=O)(=O)Cl
InChI:
InChI=1S/C6H3Br2ClO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKey:
OMOXIKAWVFDFNX-UHFFFAOYSA-N

Cite this record

CBID:10394 http://www.chembase.cn/molecule-10394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromobenzene-1-sulfonyl chloride
IUPAC Traditional name
2,4-dibromobenzenesulfonyl chloride
Synonyms
2,4-Dibromobenzenesulfonyl chloride
2,4-Dibromobenzenesulphonyl chloride
2,4-Dibromobenzenesulfonyl chloride
2,4-dibromobenzene-1-sulfonyl chloride
2,4-二溴苯磺酰氯
CAS Number
72256-95-2
MDL Number
MFCD03093759
Beilstein Number
2694058
PubChem SID
24879049
160973701
PubChem CID
2737366

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4570541  LogD (pH = 7.4) 3.4570541 
Log P 3.4570541  Molar Refractivity 55.4978 cm3
Polarizability 22.561583 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
79 - 81°C expand Show data source
82-86 °C(lit.) expand Show data source
82-86°C expand Show data source
82-86°C expand Show data source
Boiling Point
128°C/0.2mm expand Show data source
128°C/0.2mm expand Show data source
Hydrophobicity(logP)
1.896 expand Show data source
Storage Warning
Corrosive/Light Sensitive/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Linear Formula
Br2C6H3SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 548677 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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