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629-72-1 molecular structure
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1-bromopentadecane

ChemBase ID: 147449
Molecular Formular: C15H31Br
Molecular Mass: 291.31064
Monoisotopic Mass: 290.16091299
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCBr
Canonical SMILES:
CCCCCCCCCCCCCCCBr
InChI:
InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKey:
JKOTZBXSNOGCIF-UHFFFAOYSA-N

Cite this record

CBID:147449 http://www.chembase.cn/molecule-147449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromopentadecane
IUPAC Traditional name
1-bromopentadecane
Synonyms
Pentadecyl bromide
1-Bromopentadecane
n-Pentadecyl bromide
1-Bromopentadecane
十五烷基溴
1-溴十五烷
CAS Number
629-72-1
EC Number
211-104-2
MDL Number
MFCD00000229
Beilstein Number
1744553
PubChem SID
24850777
162241637
24854296
PubChem CID
12394

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.2356644  LogD (pH = 7.4) 7.2356644 
Log P 7.2356644  Molar Refractivity 78.7804 cm3
Polarizability 30.913324 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
17-19 °C(lit.) expand Show data source
18-19°C expand Show data source
Boiling Point
159-160 °C/5 mmHg(lit.) expand Show data source
159-160°C/5mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.005 expand Show data source
1.005 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4608 expand Show data source
n20/D 1.461 expand Show data source
n20/D 1.461(lit.) expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
Vapor Density
10.1 (vs air) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3(CH2)14Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 238333 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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