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CAS 66790-58-7 Benzene, 2-bromo-1-(bromomethyl)-3-methyl- molecular structure lightbox
CAS RN: 66790-58-7

Benzene, 2-bromo-1-(bromomethyl)-3-methyl-

  • Product code: SSC-176439
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66790-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Hong Kong Inquiry

66790-58-7 / 2-bromo-1-(bromomethyl)-3-methylbenzene

Standard CAS: 66790-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66790-58-7
Multi CAS
No
Molecular Formula
C8H8BR2
Molecular Weight
263.960000
Exact Mass
263.897230
InChI
InChI=1S/C8H8Br2/c1-6-3-2-4-7(5-9)8(6)10/h2-4H,5H2,1H3
InChIKey
OAMPZQBTXRQKCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
51.51
TPSA
0.0000

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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

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