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Chlorodiisopropylphosphine

HCID 538967
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
40244-90-4
Standard SMILES
CC(C)P(Cl)C(C)C
InChIKey
JZPDBTOWHLZQFC-UHFFFAOYSA-N
Molecular formula
C6H14ClP
Average molar mass
152.6 g/mol
Monoisotopic mass
152.0521651

Names & identifiers

Preferred name
Chlorodiisopropylphosphine
IUPAC
chloro-di(propan-2-yl)phosphane
English name
Chlorodiisopropylphosphine
Molecular formula
C6H14ClP
Molecular weight
152.6

Names & synonyms

Chlorodiisopropylphosphine40244-90-45FG5N54CYBDTXSID10337132RefChem:575823DTXCID00288220629-426-0DiisopropylchlorophosphinePhosphinous chloride, bis(1-methylethyl)-chloro-di(propan-2-yl)phosphaneChlorobis(isopropyl)phosphineiPr2PCl
Show more names
Di-i-propyLAURORA KA-131898% (i-Pr)2PClCHLORODIISOPROPYLPHOSHINEbis-isopropylchlorophosphineCHLORODIISOPROPYLPHOSPHINE,96%
MFCD00015027ChlorodiiosopropylphosphineUNII-5FG5N54CYBP,P-Bis(1-methylethyl)phosphinous chloridePhosphinous chloride, P,P-bis(1-methylethyl)-Di-i-propylchlorophosphinedi-isopropylchlorophosphineC6H14ClP

Database identifiers

CAS
40244-90-4
PubChem CID
538967
DTXSID
DTXSID10337132
UNII
5FG5N54CYB
EC Number
629-426-0
Nikkaji
J121.063G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
8
Formal charge
0
Complexity
53

Physicochemical properties

Boiling point
69 °C33 · 69 °C33 mm Hg(lit.)
Density
0.959 g/mL · 0.959 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.475(lit.)
Flash point
39 °F · 39 °F
storage temp.
Refrigerator
form
Liquid
color
Clear light yellow
Sensitive
air sensitive, moisture sensitive
InChI
InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKey
JZPDBTOWHLZQFC-UHFFFAOYSA-N
SMILES
P(C(C)C)(C(C)C)Cl
CAS DataBase Reference
40244 · 40244-90-4(CAS DataBase Reference)
FDA UNII
5 FG5N54CYB · 5FG5N54CYB
UNSPSC Code
12352001 · 12352001
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS05

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 · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%);Skin Corr. 1B (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 2924 3/PG 2
hs_code
29310099
risk_code
11-34
Signal word
Danger
Symbol(GHS)
GHS02,GHS05
hazard_code
F,C
safety_code
16-26-27-36/37/39-45-1
hazard_class
3.1

Chemistry & industry

Applications · 2 items

DescriptionChlorodiisopropylphosphine is an organophosphorus compound of particular interest in synthetic chemistry, where it is used as a reagent in the preparation of phosphine ligands for transition metal complexes. Its utility in synthesising these complexes is due to the reactivity of the chloro group, which other groups can substitute to create a diverse array of ligands. This reactivity is also exploited in the study of catalysis, as the resulting phosphine ligands can be used to modulate the activity and selectivity of metal catalysts. In addition, Chlorodiisopropylphosphine is investigated for its potential in forming new organophosphorus compounds with applications in materials science. Researchers are also interested in the compound′s role in synthesising flame retardants, where its phosphorus content could contribute to the material′s flame-retarding properties.

UsesChlorodiisopropylphosphine can be used: To synthesize p-styryldiisopropylphosphine by reacting with 4-chlorostyrene via Grignard reaction.As a phosphination reagent in combination with [Cp2Zr(1-butene)(DMAP)] (Cp=cyclopentadienyl; DMAP= 4-(dimethylamino)pyridine)) for the zirconophosphination of alkynes to form zirconoalkenylphosphines.A luminescent mixed-donor platinum POCN pincer complex via cyclometalation process.

Upstream & downstream products

Downstream products

1,1'-Bis(diisopropylphosphino)ferrocene(Diisopropylphosphino)(Diphenylphosphino)methane

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]

Related reactions

26 records
New reaction record
HRID 307428 reaction equation
HRID 307428As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 700461 reaction equation
HRID 700461As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 925034 reaction equation
HRID 925034As reactantuspto-grants-2016_03
HRID 925037 reaction equation
HRID 925037As reactantuspto-grants-2016_03
HRID 925039 reaction equation
HRID 925039As reactantuspto-grants-2016_03
HRID 925040 reaction equation
HRID 925040As reactantuspto-grants-2016_03
HRID 925042 reaction equation
HRID 925042As reactantuspto-grants-2016_03
HRID 925044 reaction equation
HRID 925044As reactantuspto-grants-2016_03
Page 1 of 4

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Signal word
Danger
Hazard statements
225 · H225-H314
Precautionary statements
210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
F,C
Risk Statements
11 · 11-34
Safety Statements
16 · 16-26-27-36/37/39-45-1
RIDADR
2924 · UN 2924 3/PG 2
WGK Germany
3 · 3
HazardClass
3.1 · 3.1
PackingGroup
II
HS Code
29310099 · 29310099
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Skin · Flam. Liq. 2Skin Corr. 1B
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H225-H314
Hazard Classifications
Flam. Liq. 2Skin Corr. 1B
Precautionary statements
P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
上海阿拉丁生化科技股份有限公司
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北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
常州卡伏勒环保材料有限公司13839301681 · [email protected]
江苏欣诺科催化剂股份有限公司0512-67216630 67216634 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
维赛诺化学技术(北京)有限公司13811761079 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
盘锦研峰科技有限公司400-1062016 18612996721 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
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广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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