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70145-42-5 molecular structure
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(1s,5s)-9-iodo-9-borabicyclo[3.3.1]nonane

ChemBase ID: 137852
Molecular Formular: C8H14BI
Molecular Mass: 247.91223
Monoisotopic Mass: 248.02332885
SMILES and InChIs

SMILES:
B1([C@H]2CCC[C@@H]1CCC2)I
Canonical SMILES:
IB1[C@@H]2CCC[C@H]1CCC2
InChI:
InChI=1S/C8H14BI/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2/t7-,8+
InChIKey:
YAYIUFDUYUYPJC-OCAPTIKFSA-N

Cite this record

CBID:137852 http://www.chembase.cn/molecule-137852.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1s,5s)-9-iodo-9-borabicyclo[3.3.1]nonane
IUPAC Traditional name
(1s,5s)-9-iodo-9-borabicyclo[3.3.1]nonane
Synonyms
9-Iodo-9-borabicyclo[3.3.1]nonane
B-Iodo-9-BBN
9-Iodo-9-borabicyclo[3.3.1]nonane solution
B-Iodo-9-BBN solution
9-碘-9-硼杂二环[3.3.1]壬烷
9-碘-9-硼杂二环[3.3.1]壬烷 溶液
B-Iodo-9-BBN 溶液
CAS Number
70145-42-5
MDL Number
MFCD00192226
PubChem SID
24866083
162232113
24865935
PubChem CID
578231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 578231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0084  LogD (pH = 7.4) 4.0084 
Log P 4.0084  Molar Refractivity 47.7982 cm3
Polarizability 20.83646 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
55 °C/0.2 mmHg(lit.) expand Show data source
Flash Point
-23 °C expand Show data source
-9 °F expand Show data source
Density
0.816 g/mL at 25 °C expand Show data source
1.568 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2845 expand Show data source
2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Hazard Class
3 expand Show data source
4.2 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-34 expand Show data source
17-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
RID/ADR
UN 2845 4.2/PG 1 expand Show data source
UN 2924 3/PG 2 expand Show data source
Purity
>95% expand Show data source
Concentration
1.0 M in hexanes expand Show data source
Empirical Formula (Hill Notation)
C8H14BI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 416908 external link
Packaging
25 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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