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CAS 113211-94-2 2,3-Difluorobenzyl Bromide molecular structure lightbox
CAS RN: 113211-94-2

2,3-Difluorobenzyl Bromide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-013400
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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, 0.25g, 25g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 12
  • 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 113211-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Beijing Inquiry
100g -- 4 In Stock Shanghai Inquiry
100g >98% 4 In Stock Shenzhen Inquiry
0.25g -- 3 In Stock Shenzhen Inquiry
0.25g >98% 3 In Stock Shenzhen Inquiry
25g -- 3 In Stock Shenzhen Inquiry
25g >98% 3 In Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

113211-94-2 / 1-(bromomethyl)-2,3-difluorobenzene

benzene, 1-(bromomethyl)-2,3-difluoro- | 1-(Bromomethyl)-2,3-difluoro-benzene | RefChem:427204

Standard CAS: 113211-94-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113211-94-2
Multi CAS
No
Molecular Formula
C7H5BrF2
Molecular Weight
207.010000
Exact Mass
205.954270
SMILES
C1=CC(=C(C(=C1)F)F)CBr
InChI
InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
FTBSGSZZESQDBM-UHFFFAOYSA-N
Synonyms
benzene, 1-(bromomethyl)-2,3-difluoro- 1-(Bromomethyl)-2,3-difluoro-benzene RefChem:427204 628-547-6 2,3-Difluorobenzyl bromide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.99
TPSA
0.0000

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-1.95

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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