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1523-11-1 molecular structure
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naphthalen-2-yl acetate

ChemBase ID: 102291
Molecular Formular: C12H10O2
Molecular Mass: 186.2066
Monoisotopic Mass: 186.06807956
SMILES and InChIs

SMILES:
CC(=O)Oc1ccc2ccccc2c1
Canonical SMILES:
CC(=O)Oc1ccc2c(c1)cccc2
InChI:
InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKey:
RJNPPEUAJCEUPV-UHFFFAOYSA-N

Cite this record

CBID:102291 http://www.chembase.cn/molecule-102291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-yl acetate
IUPAC Traditional name
naphthalen-2-yl acetate
Synonyms
2-Naphthyl acetate
2-Naphthyl acetate
β-NAPHTHYL ACETATE
Acetic acid 2-naphthyl ester
β-Naphthyl acetate
Naphthalen-2-yl acetate
乙酸-β-萘酯
乙酸-2-萘酯
2-萘基 乙酯
CAS Number
1523-11-1
EC Number
216-194-7
MDL Number
MFCD00004060
Beilstein Number
1868291
PubChem SID
24897794
162089563
PubChem CID
73709

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5699835  LogD (pH = 7.4) 2.5699835 
Log P 2.5699835  Molar Refractivity 53.6406 cm3
Polarizability 22.300406 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
67-70 °C(lit.) expand Show data source
68-70°C expand Show data source
Storage Condition
0°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
41 expand Show data source
Safety Statements
26-39 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
H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Description
esterase substrate expand Show data source
Impurities
<0.2% Free naphthol expand Show data source
Extent of Labeling
<0.2% free naphthol expand Show data source
Linear Formula
CH3CO2C10H7 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216277 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02100990 external link
β-Naphthol Free
Crystalline
Substrate for carboxylesterase.
Sigma Aldrich - N6875 external link
包装
5 g in poly bottle

REFERENCES

REFERENCES

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  • • Parkkinen, E., Cell Mol. Biol. , 26 : 147 (1980).
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PATENTS

PATENTS

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INTERNET

INTERNET

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