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CAS 13291-18-4 ISOPROPENYLMAGNESIUM BROMIDE molecular structure lightbox
CAS RN: 13291-18-4

ISOPROPENYLMAGNESIUM BROMIDE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 100ml In stock Shanghai, Shandong Inquiry
Batchno.20260405 1L Out of stock 5-7 business days Inquiry
Batchno.20250223 500ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 100ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260107 1L In stock Shanghai, Shandong Inquiry
Batchno.20250621 500ml In stock Shanghai Inquiry
  • Product code: starshine_CAS13291-18-4
  • Purity/Analytical Methods: >99.0%
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13291-18-4 / magnesium;prop-1-ene;bromide

Standard CAS: 13291-18-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13291-18-4
Multi CAS
No
Molecular Formula
C3H5BrMg
Molecular Weight
145.280000
Exact Mass
143.942500
SMILES
C[C-]=C.[Mg+2].[Br-]
InChI
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q-1;;+2/p-1
InChIKey
UZNGRHDUJIVHQT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
20.3
TPSA
0.0000

LogP / Solubility

WLOGP
-2.38
MLOGP
-2.1
XLogP3
-2.38
Consensus LogP
-2.29
Log S (ESOL)
0.76
Class (ESOL)
Highly soluble
Log S (Ali)
0.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.37
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)
-5.3

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
Signal
Danger
GHS Hazard Statements
H225 (44.7%): Highly Flammable liquid and vapor [Danger Flammable liquids] H228 (53.9%): Flammable solid [Danger Flammable solids] H260 (98.7%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H302 (10.5%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P402+P404, P403+P235, P405, and P501

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