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CAS 1068-55-9 Isopropylmagnesium Chloride (ca. 11% in Tetrahydrofuran, ca. 1mol/L) molecular structure lightbox
CAS RN: 1068-55-9

Isopropylmagnesium Chloride (ca. 11% in Tetrahydrofuran, ca. 1mol/L)

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11 package records9 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250302 100ml In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20250529 1L Out of stock 5-7 business days Inquiry
Batchno.20260318 500ml In stock Shanghai, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251120 500ml In stock Shanghai, Shandong Inquiry
Batchno.20260624 800ml Out of stock 5-7 business days Inquiry
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Batchno.20250718 100ml In stock Inquiry
Batchno.20251111 1L In stock Inquiry
Batchno.20250329 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251127 100ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250720 1L In stock Shanghai, Shandong Inquiry
Batchno.20260422 500ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: ICTI0543
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1068-55-9 / magnesium;propane;chloride

Isopropylmagnesium Chloride | Magnesium, chloro(1-methylethyl)- | Chloro(1-methylethyl)magnesium

Standard CAS: 1068-55-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1068-55-9
Multi CAS
Yes
Molecular Formula
C3H7ClMg
Molecular Weight
102.840000
Exact Mass
102.008670
SMILES
C[CH-]C.[Mg+2].[Cl-]
InChI
InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1
InChIKey
IUYHWZFSGMZEOG-UHFFFAOYSA-M
Synonyms
Isopropylmagnesium Chloride Magnesium, chloro(1-methylethyl)- Chloro(1-methylethyl)magnesium Chloroisopropylmagnesium 2-Propylmagnesium chloride

Physical Properties

Physical Description
Liquid 1 Molar solution in tetrahydrofuran: Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
21.4
TPSA
0.0000

LogP / Solubility

WLOGP
-2.15
MLOGP
-1.9
XLogP3
-2.15
Consensus LogP
-2.07
Log S (ESOL)
0.87
Class (ESOL)
Highly soluble
Log S (Ali)
1.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.45
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (36.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] H260 (66.1%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (13.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P403+P235, P405, and P501 P203, P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P363, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501

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