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2695-48-9 molecular structure
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8-bromooct-1-ene

ChemBase ID: 50667
Molecular Formular: C8H15Br
Molecular Mass: 191.1087
Monoisotopic Mass: 190.03571248
SMILES and InChIs

SMILES:
C=CCCCCCCBr
Canonical SMILES:
BrCCCCCCC=C
InChI:
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey:
SNMOMUYLFLGQQS-UHFFFAOYSA-N

Cite this record

CBID:50667 http://www.chembase.cn/molecule-50667.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-bromooct-1-ene
IUPAC Traditional name
8-bromooct-1-ene
Synonyms
8-Bromo-1-octene
8-Bromo-1-octene
8-溴-1-辛烯
CAS Number
2695-48-9
EC Number
220-268-4
MDL Number
MFCD00000275
Beilstein Number
2234481
PubChem SID
162055430
24855199
PubChem CID
75907

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8196957  LogD (pH = 7.4) 3.8196957 
Log P 3.8196957  Molar Refractivity 46.6175 cm3
Polarizability 17.84269 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
198-199°C expand Show data source
Flash Point
172.4 °F expand Show data source
78 °C expand Show data source
Density
1.139 expand Show data source
1.139 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.467 expand Show data source
n20/D 1.467 expand Show data source
n20/D 1.467(lit.) expand Show data source
Storage Warning
IRRITANT 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
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥96.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
Br(CH2)6CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 252301 external link
Application
Building block used in natural product synthesis.1,2
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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