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CAS 1089695-61-3 2-(difluoromethoxy)acetic acid molecular structure lightbox
CAS RN: 1089695-61-3

2-(difluoromethoxy)acetic acid

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 100mg In stock Shanghai Inquiry
Batchno.20250909 1g Out of stock Inquiry
Batchno.20251026 250mg In stock Shanghai Inquiry
Batchno.20260410 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260616 50mg In stock Shanghai Inquiry
Batchno.20250116 5g Out of stock Inquiry
  • Product code: SSC-010155
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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: 5g, 10g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1089695-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry

1089695-61-3 / 2-(difluoromethoxy)acetic acid

Difluoromethoxyacetic acid | DTXSID30183355 | RefChem:133598

Standard CAS: 1089695-61-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1089695-61-3
Multi CAS
No
Molecular Formula
C3H4F2O3
Molecular Weight
126.060000
Exact Mass
126.012850
SMILES
C(C(=O)O)OC(F)F
InChI
InChI=1S/C3H4F2O3/c4-3(5)8-1-2(6)7/h3H,1H2,(H,6,7)
InChIKey
DFUYDBNOCSKWJZ-UHFFFAOYSA-N
Synonyms
Difluoromethoxyacetic acid DTXSID30183355 RefChem:133598 DTXCID40105846 2-(difluoromethoxy)acetic acid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
19.59
TPSA
46.53

LogP / Solubility

WLOGP
0.31
MLOGP
0.26
XLogP3
0.6
Consensus LogP
0.39
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-3.27

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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