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543-59-9 molecular structure
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543-59-9 molecular structure
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1-chloropentane

ChemBase ID: 107543
Molecular Formular: C5H11Cl
Molecular Mass: 106.59384
Monoisotopic Mass: 106.05492803
SMILES and InChIs

SMILES:
 CCCCCCl
Canonical SMILES:
 CCCCCCl
InChI:
 InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey:
 SQCZQTSHSZLZIQ-UHFFFAOYSA-N

Cite this record

CBID:107543 http://www.chembase.cn/molecule-107543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloropentane
IUPAC Traditional name
1-chloropentane
Synonyms
n-AMYL CHLORIDE
n-Pentyl chloride
n-Amyl chloride
1-Chloropentane
Amyl chloride
Pentyl chloride
1-Chloropentane
n-Pentyl chloride
n-Amyl chloride
戊基氯
氯代正戊烷
1-氯戊烷
CAS Number
543-59-9
EC Number
208-846-4
MDL Number
MFCD00001015
Beilstein Number
1696936
Merck Index
14606
PubChem SID
24855603
24854299
24855604
162093500
PubChem CID
10977
CHEMBL
348039
Chemspider ID
10512
Wikipedia Title
1-Chloropentane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 238376 external link Add to cart 25769 external link Add to cart 25770 external link Add to cart
MP Biomedicals 05204121 external link Add to cart
Alfa Aesar B24733 external link Add to cart
Wikipedia 1-Chloropentane external link
PubChem 10977 external link
Data Source Data ID Price
Sigma Aldrich
238376 external link Add to cart Please log in.
25769 external link Add to cart Please log in.
25770 external link Add to cart Please log in.
MP Biomedicals
05204121 external link Add to cart Please log in.
Alfa Aesar
B24733 external link Add to cart Please log in.
Data Source Data ID
Wikipedia 1-Chloropentane external link
PubChem 10977 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 2.6044824  Molar Refractivity 29.7869 cm3
Polarizability 11.753251 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 3  Lipinski's Rule of Five true 
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 2.6044824  LogD (pH = 7.4) 2.6044824 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
197 mg/L in water expand Show data source
Apperance
Liquid expand Show data source
Melting Point
-99°C expand Show data source
-99°C expand Show data source
Boiling Point
106-108°C expand Show data source
107-108 °C(lit.) expand Show data source
108°C expand Show data source
Flash Point
12 °C expand Show data source
3°C (37.4°F) expand Show data source
3°C(37°F) expand Show data source
53.6 °F expand Show data source
Density
0.88 g/cm3 expand Show data source
0.881 expand Show data source
0.882 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4110 expand Show data source
n20/D 1.412 expand Show data source
n20/D 1.412(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1107 expand Show data source
UN1107 expand Show data source
MSDS Link
Download expand Show data source
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
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-20/21/22 expand Show data source
R:11-20/21/22 expand Show data source
Safety Statements
9-29 expand Show data source
S:9-29 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H312-H332 expand Show data source
GHS Precautionary statements
P210 expand Show data source
P210-P280 expand Show data source
P273-P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1107 3/PG 2 expand Show data source
Purity
≥98.5% (GC) expand Show data source
≥99.5% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
puriss. p.a. expand Show data source
standard for GC expand Show data source
Certificate of Analysis
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)4Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204121 external link
MP Biomedicals Rare Chemical collection
Wikipedia.org - 1-Chloropentane external link
Sigma Aldrich - 238376 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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