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54512-39-9 molecular structure
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ammonium tetrakis(3-chlorophenyl)boranuide

ChemBase ID: 138353
Molecular Formular: C24H20BCl4N
Molecular Mass: 475.0453
Monoisotopic Mass: 473.04429077
SMILES and InChIs

SMILES:
[B-](c1cccc(c1)Cl)(c1cccc(c1)Cl)(c1cccc(c1)Cl)c1cccc(c1)Cl.[NH4+]
Canonical SMILES:
Clc1cccc(c1)[B-](c1cccc(c1)Cl)(c1cccc(c1)Cl)c1cccc(c1)Cl.[NH4+]
InChI:
InChI=1S/C24H16BCl4.H3N/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;/h1-16H;1H3/q-1;/p+1
InChIKey:
HHCOTFCLANQJRT-UHFFFAOYSA-O

Cite this record

CBID:138353 http://www.chembase.cn/molecule-138353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium tetrakis(3-chlorophenyl)boranuide
IUPAC Traditional name
ammonium tetrakis(3-chlorophenyl)boranuide
Synonyms
Ammonium tetrakis(3-chlorophenyl)borate
四(3-氯苯基)硼酸铵
CAS Number
54512-39-9
MDL Number
MFCD01321233
PubChem SID
24869068
162232609
PubChem CID
16212973

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
455415 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212973 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.9808  LogD (pH = 7.4) 7.9808 
Log P 7.9808  Molar Refractivity 121.1164 cm3
Polarizability 48.98278 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
199-203 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
Purity
95% expand Show data source
Impurities
1 wt. % ethyl alcohol expand Show data source
Linear Formula
NH4B(C6H4Cl)4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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