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CAS 112399-50-5 2-Bromo-5-fluorobenzyl Bromide molecular structure lightbox
CAS RN: 112399-50-5

2-Bromo-5-fluorobenzyl Bromide

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100g Out of stock Inquiry
Batchno.20250109 1g In stock Inquiry
Batchno.20250101 25g Out of stock Inquiry
Batchno.20250415 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-012828
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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: 5g, 10g, 25g, 1g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 112399-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 3 In Stock Beijing Inquiry
100g >97% 3 In Stock Shanghai Inquiry
500g >97% 3 In Stock Beijing Inquiry

112399-50-5 / 1-bromo-2-(bromomethyl)-4-fluorobenzene

1-Bromo-2-(bromomethyl)-4-fluorobenzene | RefChem:430220 | 642-591-3

Standard CAS: 112399-50-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112399-50-5
Multi CAS
Yes
Molecular Formula
C7H5Br2F
Molecular Weight
267.920000
Exact Mass
267.872150
SMILES
C1=CC(=C(C=C1F)CBr)Br
InChI
InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKey
CZLWYKAZAVYQIK-UHFFFAOYSA-N
Synonyms
1-Bromo-2-(bromomethyl)-4-fluorobenzene RefChem:430220 642-591-3 2-Bromo-5-fluorobenzyl bromide 5-Fluoro-2-bromobenzyl bromide

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
46.73
TPSA
0.0000

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501

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