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638-21-1 molecular structure
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phenylphosphane

ChemBase ID: 135536
Molecular Formular: C6H7P
Molecular Mass: 110.093541
Monoisotopic Mass: 110.02853685
SMILES and InChIs

SMILES:
c1ccc(cc1)P
Canonical SMILES:
Pc1ccccc1
InChI:
InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey:
RPGWZZNNEUHDAQ-UHFFFAOYSA-N

Cite this record

CBID:135536 http://www.chembase.cn/molecule-135536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylphosphane
IUPAC Traditional name
phenylphosphine
Synonyms
Phenylphosphine
苯基膦
苯膦
CAS Number
638-21-1
EC Number
211-325-4
MDL Number
MFCD00002094
Beilstein Number
741946
PubChem SID
24885212
162229810
PubChem CID
12519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2502  LogD (pH = 7.4) 1.2502 
Log P 1.2502  Molar Refractivity 32.2743 cm3
Polarizability 13.071967 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)
Apperance
Liquid expand Show data source
Boiling Point
160 °C(lit.) expand Show data source
160°C expand Show data source
Flash Point
-14.8 °F expand Show data source
163.4 °F expand Show data source
-26 °C expand Show data source
73 °C expand Show data source
Density
0.6912 g/mL at 25 °C expand Show data source
1.00 expand Show data source
1.001 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.578(lit.) expand Show data source
Vapor Pressure
760 mmHg ( 160 °C) expand Show data source
Vapor Density
3.79 (vs air) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
RTECS
SZ2100000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2845 expand Show data source
3384 expand Show data source
UN2845 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
6.1 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
11-20/21/22-38-48/20-51/53-62-65 expand Show data source
17-20-36/37/38 expand Show data source
17-23/24/25-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
16-36/37-61-62 expand Show data source
26-33-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H302-H304-H315-H319-H336-H361f-H373-H411 expand Show data source
H250-H252-H332-H315-H319-H335-H227 expand Show data source
H250-H301 + H311 + H331-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P222-P231-P261-P273-P422 expand Show data source
P210-P222-P305+P351+P338-P405-P422A-P501A expand Show data source
P222-P231-P261-P280-P301 + P310-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2845 4.2/PG 1 expand Show data source
UN 3384 6.1/PG 1 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
98% expand Show data source
Linear Formula
C6H5PH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 674389 external link
Packaging
50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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