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112-67-4 molecular structure
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hexadecanoyl chloride

ChemBase ID: 104478
Molecular Formular: C16H31ClO
Molecular Mass: 274.86974
Monoisotopic Mass: 274.20634329
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)Cl
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)Cl
InChI:
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
InChIKey:
ARBOVOVUTSQWSS-UHFFFAOYSA-N

Cite this record

CBID:104478 http://www.chembase.cn/molecule-104478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexadecanoyl chloride
IUPAC Traditional name
hexadecanoyl chloride
Synonyms
Hexadecanoyl chloride
Palmitoyl chloride
PALMITOYL CHLORIDE
十六酰氯
棕榈酰氯
CAS Number
112-67-4
EC Number
203-996-7
MDL Number
MFCD00000742
Beilstein Number
972409
PubChem SID
24898879
162091590
24886947
PubChem CID
8206

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8206 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.789912  LogD (pH = 7.4) 6.789912 
Log P 6.789912  Molar Refractivity 80.9421 cm3
Polarizability 32.126102 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds 14  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Melting Point
11-13 °C(lit.) expand Show data source
Boiling Point
88-90 °C/0.2 mmHg(lit.) expand Show data source
Flash Point
160 °C expand Show data source
320 °F expand Show data source
Density
0.906 g/mL at 25 °C(lit.) expand Show data source
0.907 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.452 expand Show data source
n20/D 1.452(lit.) expand Show data source
Storage Condition
0°C, Desiccate expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3265 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
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
14-34 expand Show data source
R:36 expand Show data source
Safety Statements
26-36/37/39-43.4-45 expand Show data source
26-36/37/39-43-45 expand Show data source
S:26 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
GHS Precautionary statements
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 3265 8/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥98% (capillary GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)14COCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P2385 external link
Biochem/physiol Actions
Long-chain (C16) fatty acid. Protein palmitoylation is involved in subcellular localization of many signal transduction proteins, including G proteins.
Packaging
Sealed ampule.
Sigma Aldrich - P78 external link
Packaging
1 L in glass bottle
5, 100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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