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CAS 101975-23-9 3′-(Difluoromethoxy)acetophenone molecular structure lightbox
CAS RN: 101975-23-9

3′-(Difluoromethoxy)acetophenone

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260102 100g Out of stock Inquiry
Batchno.20250907 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250403 1g In stock Shanghai Inquiry
Batchno.20250606 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250510 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-003130
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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: 5g
  • 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 101975-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

101975-23-9 / 1-[3-(difluoromethoxy)phenyl]ethanone

1-(3-(DIFLUOROMETHOXY)PHENYL)ETHAN-1-ONE | 1-[3-(Difluoromethoxy)phenyl]ethan-1-one | DTXSID70378884

Standard CAS: 101975-23-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101975-23-9
Multi CAS
No
Molecular Formula
C9H8F2O2
Molecular Weight
186.150000
Exact Mass
186.049236
SMILES
CC(=O)C1=CC(=CC=C1)OC(F)F
InChI
InChI=1S/C9H8F2O2/c1-6(12)7-3-2-4-8(5-7)13-9(10)11/h2-5,9H,1H3
InChIKey
RLBDNZCDRGGGEE-UHFFFAOYSA-N
Synonyms
1-(3-(DIFLUOROMETHOXY)PHENYL)ETHAN-1-ONE 1-[3-(Difluoromethoxy)phenyl]ethan-1-one DTXSID70378884 RefChem:224142 DTXCID10329911

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
43.08
TPSA
26.3

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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