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CAS 149965-41-3 4-bromo-2-(bromomethyl)-1-chlorobenzene molecular structure lightbox
CAS RN: 149965-41-3

4-bromo-2-(bromomethyl)-1-chlorobenzene

  • Product code: SSC-059910
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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: 1g, 5g, 25g, 0.25g, 100g, 10g
  • Available purity: ≥95%
  • 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 149965-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
100g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

149965-41-3 / 4-bromo-2-(bromomethyl)-1-chlorobenzene

Standard CAS: 149965-41-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149965-41-3
Multi CAS
No
Molecular Formula
C7H5Br2Cl
Molecular Weight
284.370000
Exact Mass
283.842600
SMILES
C1=CC(=C(C=C1Br)CBr)Cl
InChI
InChI=1S/C7H5Br2Cl/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey
LARDKFQCEKGHTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
51.78
TPSA
0.0000

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
3.8
Consensus LogP
3.78
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.62

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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