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CAS 162744-60-7 4-BROMO-2,6-DIFLUOROBENZYL BROMIDE molecular structure lightbox
CAS RN: 162744-60-7

4-BROMO-2,6-DIFLUOROBENZYL BROMIDE

  • Product code: SSC-070120
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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, 10g, 100g, 0.1g, 0.25g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 7
  • 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 162744-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Shanghai Inquiry
100g ≥97% 3 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Shanghai Inquiry

162744-60-7 / 5-bromo-2-(bromomethyl)-1,3-difluorobenzene

Standard CAS: 162744-60-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162744-60-7
Multi CAS
No
Molecular Formula
C7H4Br2F2
Molecular Weight
285.910000
Exact Mass
285.862730
SMILES
C1=C(C=C(C(=C1F)CBr)F)Br
InChI
InChI=1S/C7H4Br2F2/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
InChIKey
VSKMLLGUWKLTQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.69
TPSA
0.0000

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.4
Consensus LogP
3.41
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.89

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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