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CAS 113939-45-0 1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene molecular structure lightbox
CAS RN: 113939-45-0

1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250404 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260330 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260118 10g In stock Shanghai Inquiry
Batchno.20260104 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250217 5g In stock Shanghai Inquiry
  • Product code: SSC-013885
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113939-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

113939-45-0 / 1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene

1-Bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene | DTXSID20720238 | RefChem:228549

Standard CAS: 113939-45-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113939-45-0
Multi CAS
No
Molecular Formula
C8H4Br2F4O
Molecular Weight
351.920000
Exact Mass
351.854450
SMILES
C1=CC(=CC=C1OC(C(F)(F)Br)(F)F)Br
InChI
InChI=1S/C8H4Br2F4O/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12/h1-4H
InChIKey
MHPXJSIMKFXETB-UHFFFAOYSA-N
Synonyms
1-Bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene DTXSID20720238 RefChem:228549 DTXCID40670983 1-Bromo-4-(2-bromo-1,1,2,2-tetrafluoro-ethoxy)benzene

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.59
TPSA
9.23

LogP / Solubility

WLOGP
4.41
MLOGP
3.9
XLogP3
4.9
Consensus LogP
4.4
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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