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95548-26-8 molecular structure
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(11Z)-octadec-11-enoyl chloride

ChemBase ID: 133290
Molecular Formular: C18H33ClO
Molecular Mass: 300.90702
Monoisotopic Mass: 300.22199336
SMILES and InChIs

SMILES:
CCCCCC/C=C\CCCCCCCCCC(=O)Cl
Canonical SMILES:
CCCCCC/C=C\CCCCCCCCCC(=O)Cl
InChI:
InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3/b8-7-
InChIKey:
WYUXJEJFKYBBMZ-FPLPWBNLSA-N

Cite this record

CBID:133290 http://www.chembase.cn/molecule-133290.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(11Z)-octadec-11-enoyl chloride
IUPAC Traditional name
(11Z)-octadec-11-enoyl chloride
Synonyms
cis-Vaccenoyl chloride
CAS Number
95548-26-8
MDL Number
MFCD00056352
PubChem SID
24900772
162227567
PubChem CID
16220100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
V9876 external link Add to cart Please log in.
Data Source Data ID
PubChem 16220100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.317128  LogD (pH = 7.4) 7.317128 
Log P 7.317128  Molar Refractivity 91.2607 cm3
Polarizability 35.575684 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
170 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.912 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1760 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
23-26-36/37/39-45 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 1760 8/PG 2 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~98% (capillary GC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - V9876 external link
包装
Sealed ampule.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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