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CAS 13139-86-1 4-Methoxyphenylmagnesium bromide molecular structure lightbox
CAS RN: 13139-86-1

4-Methoxyphenylmagnesium bromide

Product Availability

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6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251115 100ml In stock Inquiry
Batchno.20260221 1L In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251103 100ml / 500ml / 800ml Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 100ml In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250204 1L Out of stock 5-7 business days Inquiry
Batchno.20250904 500ml In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-038236
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100ml
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13139-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥95% 0 Out of Stock Hong Kong Inquiry

13139-86-1 / magnesium;methoxybenzene;bromide

Standard CAS: 13139-86-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13139-86-1
Multi CAS
No
Molecular Formula
C7H7BrMgO
Molecular Weight
211.340000
Exact Mass
209.953070
SMILES
COC1=CC=[C-]C=C1.[Mg+2].[Br-]
InChI
InChI=1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKey
RBWRWAUAVRMBAC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.58
TPSA
9.23

LogP / Solubility

WLOGP
-1.88
MLOGP
-1.65
XLogP3
-1.88
Consensus LogP
-1.8
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
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)
-5.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H225 (42.3%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (98.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
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

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