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Dicyclohexylphosphine

HCID 13239
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Basic information

CAS
829-84-5
Standard SMILES
C1CCC(PC2CCCCC2)CC1
InChIKey
HDULBKVLSJEMGN-UHFFFAOYSA-N
Molecular formula
C12H23P
Average molar mass
198.28 g/mol
Monoisotopic mass
198.15373737

Names & identifiers

Preferred name
Dicyclohexylphosphine
IUPAC
dicyclohexylphosphane
English name
Dicyclohexylphosphine
Molecular formula
C12H23P
Molecular weight
198.28

Names & synonyms

DICYCLOHEXYLPHOSPHINEPhosphine, dicyclohexyl-EINECS 212-590-9DTXSID7061190RefChem:133251DTXCID7048322212-590-9HDULBKVLSJEMGN-UHFFFAOYSA-Ndicyclohexylphosphane829-84-5MFCD00014296C12H23P
Show more names
Dicyclohexylphosphino98% Cy2PHicyclohexylphosphanedicyclohexyl-phosphinPhosphine,dicyclohexyl-Bis(cyclohexyl)phosphineDicyclohexylphosphine,98%Dicyclohexylphosphine,98% Cy2PH
Dicyclohexyl phosphineCy2PHF7LBQ7EZ7ZDicyclohexylphosphine, 97%SCHEMBL303960SCHEMBL303961AAA82984AKOS015840836

Database identifiers

CAS
829-84-5
PubChem CID
13239
DTXSID
DTXSID7061190
UNII
F7LBQ7EZ7Z
EC Number
212-590-9
Nikkaji
J79.979C

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
116

Physicochemical properties

Melting point
2 °C · 2°C
Boiling point
129 °C · 129 °C 8 mm Hg
Density
0 · 0,98 g/cm3
refractive index
20 · n 20/D 1.516
Flash point
2 °C · 2 °C
storage temp.
20 · 20-25°C
form
liquid
Specific Gravity
0.98 · 0.98
color
colorless to light yellow
Hydrolytic Sensitivity
9 · 9: reacts extremely rapidly with atmospheric moisture - may be pyrophoric - glove box or sealed system required
Sensitive
air sensitive
InChI
InChI=1S/C12H23P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey
HDULBKVLSJEMGN-UHFFFAOYSA-N
SMILES
P(C1CCCCC1)C1CCCCC1
CAS DataBase Reference
829 · 829-84-5

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (70.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P222, P231, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P361+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (70.4%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
WGK 3
tsca
TSCA listed
ridadr
UN 2845 4.2/PG 1
risk_code
17-23/24/25
Signal word
Danger
Symbol(GHS)
GHS02,GHS06
hazard_code
F,T
safety_code
17-36/37/39-45
Storage Class
4.2 - Pyrophoric and self-heating hazardous materials
Hazard statements
H225-H250-H301+H311+H331-H319
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Pyr. Liq. 1

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphine, dicyclohexyl-: ACTIVE
Applications · 1 item

UsesWang et al. developed a novel fluorescent probe based on dicyclohexylphosphine for rapid and sensitive detection of HOCl in an aqueous solution. The probe exhibits a significant fluorescence turn-on response to HOCl through the specific oxidative reaction between dicyclohexylphosphine and HOCl[1].

Upstream & downstream products

Downstream products

1,2-Bis(dicyclohexylphosphino)ethane(S)-(R)-JOSIPHOS1-dicyclohexylphosphinomethyl-2-diphenylphosphinomethybenzeneDicyclohexylchlorophosphine2-(Dicyclohexylphosphino)biphenyl2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

Related reactions

13 records
New reaction record
HRID 293908 reaction equation
HRID 293908As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 485224 reaction equation
HRID 485224As reactantuspto-grants-1985_08
HRID 580364 reaction equation
HRID 580364As reactantuspto-grants-1988_06
HRID 592256 reaction equation
HRID 592256As reactantuspto-grants-2016_01
HRID 694335 reaction equation
HRID 694335As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 847666 reaction equation
HRID 847666As reactantuspto-grants-1981_10
HRID 1036301 reaction equation
HRID 1036301As reactantuspto-grants-2013_10
HRID 1149476 reaction equation
HRID 1149476As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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EPA Substance Registry System
Phosphine, dicyclohexyl- (829-84-5)
UNSPSC Code
12350000 · 12350000
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS06
Signal word
Danger
Hazard statements
225 · H225-H250-H301+H311+H331-H319
Precautionary statements
210 · P210-P222-P231-P261-P280
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,T
Risk Statements
17 · 17-23/24/25
Safety Statements
17 · 17-36/37/39-45
RIDADR
2845 · UN 2845 4.2/PG 1
WGK Germany
3 · WGK 3
TSCA
TSCA listed
Storage Class
4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
Hazard Classifications
3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Pyr. Liq. 1
Precautionary statements
P210-P222-P231-P261-P280