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693-67-4 molecular structure
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1-bromoundecane

ChemBase ID: 92010
Molecular Formular: C11H23Br
Molecular Mass: 235.20432
Monoisotopic Mass: 234.09831274
SMILES and InChIs

SMILES:
BrCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCBr
InChI:
InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey:
IKPSIIAXIDAQLG-UHFFFAOYSA-N

Cite this record

CBID:92010 http://www.chembase.cn/molecule-92010.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromoundecane
IUPAC Traditional name
1-bromoundecane
Synonyms
1-Bromoundecane
Undecyl bromide
1-Bromoundecane
n-Undecyl bromide
1-BROMO UNDECANE
十一烷基溴
1-溴十一烷
CAS Number
693-67-4
EC Number
211-757-3
MDL Number
MFCD00000223
Beilstein Number
1098390
PubChem SID
162078708
24851181
24854728
PubChem CID
12744

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.45739  LogD (pH = 7.4) 5.45739 
Log P 5.45739  Molar Refractivity 60.3764 cm3
Polarizability 23.57545 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-9 °C(lit.) expand Show data source
-9°C expand Show data source
Boiling Point
112-114°C/10mm expand Show data source
137-138 °C/18 mmHg(lit.) expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.052 expand Show data source
1.054 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4563 expand Show data source
n20/D 1.457 expand Show data source
n20/D 1.457(lit.) expand Show data source
Vapor Density
8.2 (vs air) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)10Br expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204809 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 245038 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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