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351003-34-4 molecular structure
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4-(difluoromethoxy)benzene-1-sulfonyl chloride

ChemBase ID: 94797
Molecular Formular: C7H5ClF2O3S
Molecular Mass: 242.6276064
Monoisotopic Mass: 241.96159914
SMILES and InChIs

SMILES:
O(c1ccc(cc1)S(=O)(=O)Cl)C(F)F
Canonical SMILES:
FC(Oc1ccc(cc1)S(=O)(=O)Cl)F
InChI:
InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-5(2-4-6)13-7(9)10/h1-4,7H
InChIKey:
ANZLDHZFNLCQAS-UHFFFAOYSA-N

Cite this record

CBID:94797 http://www.chembase.cn/molecule-94797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(difluoromethoxy)benzene-1-sulfonyl chloride
IUPAC Traditional name
4-(difluoromethoxy)benzenesulfonyl chloride
Synonyms
4-(Difluoromethoxy)benzenesulphonyl chloride 98%
4-(Difluoromethoxy)benzenesulfonyl chloride
4-(二氟甲氧基)苯磺酰氯
CAS Number
351003-34-4
MDL Number
MFCD03094156
PubChem SID
162081451
24879256
PubChem CID
2778223

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2778223 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6886358  LogD (pH = 7.4) 2.6886358 
Log P 2.6886358  Molar Refractivity 46.7243 cm3
Polarizability 18.704113 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
265-266 °C(lit.) expand Show data source
265-266°C expand Show data source
Flash Point
199.4 °F expand Show data source
93 °C expand Show data source
93°C expand Show data source
Density
1.523 expand Show data source
1.523 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.515 expand Show data source
n20/D 1.5150(lit.) expand Show data source
Storage Warning
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
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
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 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
GHS Precautionary statements
P280-P305 + P351 + P338-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 3265 8/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
F2CHOC6H4SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 552267 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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