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CAS 121219-07-6 2,3-Difluorophenetole molecular structure lightbox
CAS RN: 121219-07-6

2,3-Difluorophenetole

  • Product code: SSC-022999
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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: 25g, 5g, 100g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 121219-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shanghai Inquiry
100g >97% 3 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

121219-07-6 / 1-ethoxy-2,3-difluorobenzene

1-Ethoxy-2,3-Difluorobenzene | DTXSID40382357 | EC 441-000-4

Standard CAS: 121219-07-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121219-07-6
Multi CAS
Yes
Molecular Formula
C8H8F2O
Molecular Weight
158.140000
Exact Mass
158.054321
SMILES
CCOC1=C(C(=CC=C1)F)F
InChI
InChI=1S/C8H8F2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKey
AVOGLGBKOFOSBN-UHFFFAOYSA-N
Synonyms
1-Ethoxy-2,3-Difluorobenzene DTXSID40382357 EC 441-000-4 RefChem:75691 DTXCID20333382

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
37.53
TPSA
9.23

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.01

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: Harmful if swallowed [Warning Acute toxicity, oral] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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