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CAS 141134-24-9 4-(DIFLUOROMETHOXY)PHENACYL BROMIDE molecular structure lightbox
CAS RN: 141134-24-9

4-(DIFLUOROMETHOXY)PHENACYL BROMIDE

  • Product code: SSC-051599
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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 141134-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

141134-24-9 / 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone

Standard CAS: 141134-24-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141134-24-9
Multi CAS
No
Molecular Formula
C9H7BrF2O2
Molecular Weight
265.050000
Exact Mass
263.959750
SMILES
C1=CC(=CC=C1C(=O)CBr)OC(F)F
InChI
InChI=1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2
InChIKey
JMUKUVDYZQDUSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
51.2
TPSA
26.3

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
3.3
Consensus LogP
2.9
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.3

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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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