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55362-80-6 molecular structure
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9-bromononan-1-ol

ChemBase ID: 87533
Molecular Formular: C9H19BrO
Molecular Mass: 223.15056
Monoisotopic Mass: 222.06192723
SMILES and InChIs

SMILES:
OCCCCCCCCCBr
Canonical SMILES:
OCCCCCCCCCBr
InChI:
InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey:
USJDOLXCPFASNV-UHFFFAOYSA-N

Cite this record

CBID:87533 http://www.chembase.cn/molecule-87533.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-bromononan-1-ol
IUPAC Traditional name
9-bromononan-1-ol
Synonyms
Nonamethylene bromohydrin
9-Bromononan-1-ol
1-Hydroxy-9-bromononane
9-Bromo-1-nonanol
9-Bromononanol
9-Bromo-1-nonanol
伸壬基溴茚烷醇
9-溴-1-壬醇
CAS Number
55362-80-6
MDL Number
MFCD00063348
Beilstein Number
1737525
PubChem SID
24868427
24850643
162074573
PubChem CID
108700

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 3.1315737 
LogD (pH = 7.4) 3.1315737  Log P 3.1315737 
Molar Refractivity 53.1031 cm3 Polarizability 20.597078 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
CDCl3 expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Hexane expand Show data source
Methanol expand Show data source
Apperance
Light Yellow Solid expand Show data source
Melting Point
33-35 °C(lit.) expand Show data source
33-35°C expand Show data source
Boiling Point
125-126 °C/2 mmHg(lit.) expand Show data source
125-126°C/2mm expand Show data source
Flash Point
109 °C expand Show data source
228.2 °F 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
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
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
95% expand Show data source
95+% 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
Br(CH2)9OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 448729 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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