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13371-17-0 molecular structure
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butyltriphenylphosphanium chloride

ChemBase ID: 137861
Molecular Formular: C22H24ClP
Molecular Mass: 354.852721
Monoisotopic Mass: 354.13041508
SMILES and InChIs

SMILES:
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Canonical SMILES:
CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChI:
InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey:
MFIUDWFSVDFDDY-UHFFFAOYSA-M

Cite this record

CBID:137861 http://www.chembase.cn/molecule-137861.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyltriphenylphosphanium chloride
IUPAC Traditional name
butyltriphenylphosphanium chloride
Synonyms
Butyltriphenylphosphonium chloride
Butyltriphenylphosphonium chloride
丁基三苯基氯化膦
CAS Number
13371-17-0
EC Number
236-443-3
MDL Number
MFCD00040546
PubChem SID
24868584
162232122
PubChem CID
166797

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 166797 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.95169  LogD (pH = 7.4) 5.95169 
Log P 5.95169  Molar Refractivity 101.0948 cm3
Polarizability 39.9749 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
226-230 °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
97% expand Show data source
Linear Formula
CH3(CH2)3P(C6H5)3Cl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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