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56946-83-9 molecular structure
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2,5-dichlorothiophene-3-sulfonyl chloride

ChemBase ID: 10357
Molecular Formular: C4HCl3O2S2
Molecular Mass: 251.53854
Monoisotopic Mass: 249.84835431
SMILES and InChIs

SMILES:
s1c(c(cc1Cl)S(=O)(=O)Cl)Cl
Canonical SMILES:
Clc1sc(c(c1)S(=O)(=O)Cl)Cl
InChI:
InChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
InChIKey:
JJKSHSHZJOWSEC-UHFFFAOYSA-N

Cite this record

CBID:10357 http://www.chembase.cn/molecule-10357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichlorothiophene-3-sulfonyl chloride
IUPAC Traditional name
2,5-dichlorothiophene-3-sulfonyl chloride
Synonyms
2,5-Dichlorothiophene-3-sulfonyl chloride
2,5-Dichlorothiophene-3-sulfonyl chloride
2,5-Dichlorothiophene-3-sulphonyl chloride
2,5-二氯噻吩-3-磺酰氯
2,5-二氯-3-氯磺酰基噻吩
CAS Number
56946-83-9
EC Number
000-000-0
MDL Number
MFCD00051665
Beilstein Number
1285315
PubChem SID
160973664
24878722
PubChem CID
2736094

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.240072  LogD (pH = 7.4) 3.240072 
Log P 3.240072  Molar Refractivity 45.2874 cm3
Polarizability 19.335276 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)
Boiling Point
105°C/2mm expand Show data source
256-257 °C(lit.) expand Show data source
256-257°C expand Show data source
256-257°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.697 expand Show data source
1.697 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.597 expand Show data source
1.5970 expand Show data source
n20/D 1.595(lit.) expand Show data source
Hydrophobicity(logP)
1.299 expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon/Keep Cold 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
1760 expand Show data source
UN3265 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
3 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
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1760 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C4HCl3O2S2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 544280 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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