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12069-32-8 molecular structure
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4,2λ4,3λ4,4λ4-tetraborole

ChemBase ID: 137156
Molecular Formular: CB4
Molecular Mass: 55.2547
Monoisotopic Mass: 56.0372216
SMILES and InChIs

SMILES:
[B]1=[B][B]=C=[B]1
Canonical SMILES:
[B]1=C=[B][B]=[B]1
InChI:
InChI=1S/CB4/c1-2-4-5-3-1
InChIKey:
NOJMLSPGQSYAIT-UHFFFAOYSA-N

Cite this record

CBID:137156 http://www.chembase.cn/molecule-137156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,2λ4,3λ4,4λ4-tetraborole
2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane
IUPAC Traditional name
4,2λ4,3λ4,4λ4-tetraborole
boron carbide
Synonyms
Carbon tetraboride
Boron carbide
一碳化四硼
碳化硼
CAS Number
12069-32-8
EC Number
235-111-5
MDL Number
MFCD00011520
PubChem SID
162231421
PubChem CID
5136269

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
241865 external link Add to cart Please log in.
Data Source Data ID
PubChem 5136269 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2331  LogD (pH = 7.4) -3.2331 
Log P -3.2331  Molar Refractivity 6.6986 cm3
Polarizability 9.603889 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)
Density
2.51 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20 expand Show data source
Safety Statements
22-36/37/39-38 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H332 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Particle Size
-60-+230 mesh expand Show data source
Linear Formula
CB4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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