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34732-09-7 molecular structure
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2,3,4-trichlorobenzene-1-sulfonyl chloride

ChemBase ID: 10368
Molecular Formular: C6H2Cl4O2S
Molecular Mass: 279.95588
Monoisotopic Mass: 277.85296102
SMILES and InChIs

SMILES:
c1c(c(c(c(c1)S(=O)(=O)Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1Cl)Cl)S(=O)(=O)Cl
InChI:
InChI=1S/C6H2Cl4O2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H
InChIKey:
JDAJYNHGBUXIKS-UHFFFAOYSA-N

Cite this record

CBID:10368 http://www.chembase.cn/molecule-10368.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4-trichlorobenzene-1-sulfonyl chloride
IUPAC Traditional name
2,3,4-trichlorobenzenesulfonyl chloride
Synonyms
2,3,4-Trichlorobenzenesulphonyl chloride 98%
2,3,4-TRICHLORO BENZENE SULFONYL CHLORIDE
2,3,4-Trichlorobenzenesulfonyl chloride
2,3,4-trichlorobenzene-1-sulfonyl chloride
2,3,4-Trichlorophenylsulfonyl chloride
2,3,4-Trichlorobenzenesulfonyl chloride
2,3,4-三氯苯基磺酰基氯化物
2,3,4-三氯苯磺酰氯
CAS Number
34732-09-7
EC Number
252-174-4
MDL Number
MFCD00024871
Beilstein Number
2649436
PubChem SID
24884917
160973675
PubChem CID
36904

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7316828  LogD (pH = 7.4) 3.7316828 
Log P 3.7316828  Molar Refractivity 54.6666 cm3
Polarizability 22.403238 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
61-65°C expand Show data source
62-66 °C expand Show data source
63-65°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-28-36/37/39-45 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
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P280-P305 + P351 + P338-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 3 expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H2Cl4O2S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05222742 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 667439 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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