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34281 molecular structure
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naphthalene-2-sulfonyl chloride

ChemBase ID: 75318
Molecular Formular: C10H7ClO2S
Molecular Mass: 226.67938
Monoisotopic Mass: 225.98552814
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc2ccccc2cc1)Cl
Canonical SMILES:
ClS(=O)(=O)c1ccc2c(c1)cccc2
InChI:
InChI=1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey:
OPECTNGATDYLSS-UHFFFAOYSA-N

Cite this record

CBID:75318 http://www.chembase.cn/molecule-75318.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-2-sulfonyl chloride
IUPAC Traditional name
2-naphthalenesulfonyl chloride
Synonyms
naphthalene-2-sulfonyl chloride
2-Naphthalenesulfonyl chloride
2-Naphthalenesulphonyl chloride
2-naphthalenesulfonyl chloride
Naphthalene-2-sulfonyl chloride
β-NAPHTHALENESULFONYL CHLORIDE
2-萘磺酰氯
萘-2-磺酰氯
CAS Number
34281
93-11-8
EC Number
202-219-9
MDL Number
MFCD00004087
Beilstein Number
641898
PubChem SID
162040236
24886004
24848104
PubChem CID
7125

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9090257  LogD (pH = 7.4) 2.9090257 
Log P 2.9090257  Molar Refractivity 56.7024 cm3
Polarizability 23.840942 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
74-76 °C expand Show data source
74-76 °C(lit.) expand Show data source
74-78°C expand Show data source
Boiling Point
147.7 °C/0.6 mmHg(lit.) expand Show data source
200-202°C/13mm expand Show data source
Storage Warning
Moisture Sensitive 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
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
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 2 expand Show data source
Purity
≥99.0% (AT) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Empirical Formula (Hill Notation)
C10H7ClO2S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214478 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 133361 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 70270 external link
Other Notes
Amino protecting reagent which gives more labile derivatives than tosyl; 2-nasyl is selectively cleaved in the presence of tosyl by Mg/MeOH1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Precursor to 2-naphthalenesulfonyl azide, a superior diazo transfer agent, reportedly safer than tosyl azide, in the synthesis of diazo phosphonates: Synthesis, 405 (1991).
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PATENTS

PATENTS

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INTERNET

INTERNET

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