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1122-99-2 molecular structure
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2-cyclopentylacetyl chloride

ChemBase ID: 302397
Molecular Formular: C7H11ClO
Molecular Mass: 146.61464
Monoisotopic Mass: 146.04984265
SMILES and InChIs

SMILES:
C1CCC(C1)CC(=O)Cl
Canonical SMILES:
ClC(=O)CC1CCCC1
InChI:
InChI=1S/C7H11ClO/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2
InChIKey:
NILLIUYSJFTTRH-UHFFFAOYSA-N

Cite this record

CBID:302397 http://www.chembase.cn/molecule-302397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopentylacetyl chloride
IUPAC Traditional name
2-cyclopentylacetyl chloride
Synonyms
Cyclopentaneacetyl chloride
Cyclopentylacetyl chloride
环戊基乙酰氯
CAS Number
1122-99-2
MDL Number
MFCD00236031
Beilstein Number
1906113

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L14562 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1675189  LogD (pH = 7.4) 2.1675189 
Log P 2.1675189  Molar Refractivity 37.6785 cm3
Polarizability 14.844665 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
186°C expand Show data source
Flash Point
71°C(160°F) expand Show data source
Density
1.087 expand Show data source
Refractive Index
1.4625 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
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 Hazard statements
H314-H318-H227 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P309-P310 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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