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142-61-0 molecular structure
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hexanoyl chloride

ChemBase ID: 92313
Molecular Formular: C6H11ClO
Molecular Mass: 134.60394
Monoisotopic Mass: 134.04984265
SMILES and InChIs

SMILES:
ClC(=O)CCCCC
Canonical SMILES:
CCCCCC(=O)Cl
InChI:
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChIKey:
YWGHUJQYGPDNKT-UHFFFAOYSA-N

Cite this record

CBID:92313 http://www.chembase.cn/molecule-92313.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexanoyl chloride
IUPAC Traditional name
hexanoyl chloride
Synonyms
Caproyl chloride
Hexanoyl chloride
Hexanoyl chloride
正己酰氯
己酰氯
CAS Number
142-61-0
EC Number
205-549-1
MDL Number
MFCD00000760
Beilstein Number
506332
Merck Index
141763
PubChem SID
162079011
24852920
24849650
24857726
PubChem CID
67340

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 34.9321 cm3 Polarizability 13.728507 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.344226 
LogD (pH = 7.4) 2.344226  Log P 2.344226 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-87°C expand Show data source
Boiling Point
150-153 °C(lit.) expand Show data source
150-153°C expand Show data source
Flash Point
122 °F expand Show data source
50 °C expand Show data source
50°C(122°F) expand Show data source
Density
0.963 g/mL at 25 °C(lit.) expand Show data source
0.971 expand Show data source
Refractive Index
1.4260 expand Show data source
n20/D 1.426 expand Show data source
n20/D 1.426(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
2920 expand Show data source
UN2920 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
1 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
10-20/22-34 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H301-H332-H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 2920 8/PG 2 expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3(CH2)4COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 294659 external link
Packaging
25, 100 mL in glass bottle
Sigma Aldrich - 156957 external link
Packaging
25, 100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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