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CAS 1583-59-1 2,2-Difluoro-1,3-benzodioxole molecular structure lightbox
CAS RN: 1583-59-1

2,2-Difluoro-1,3-benzodioxole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250317 100g In stock Inquiry
Batchno.20251008 25g In stock Inquiry
Batchno.20250206 500g In stock Inquiry
Batchno.20250402 5g In stock Inquiry
  • Product code: SSC-066747
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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, 25g, 100g, 1000g
  • 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 1583-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Beijing Inquiry
25g -- 1 In Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

1583-59-1 / 2,2-difluoro-1,3-benzodioxole

Standard CAS: 1583-59-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1583-59-1
Multi CAS
No
Molecular Formula
C7H4F2O2
Molecular Weight
158.100000
Exact Mass
158.017936
SMILES
C1=CC=C2C(=C1)OC(O2)(F)F
InChI
InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKey
DGCOGZQDAXUUBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
32.64
TPSA
18.46

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2.5
Consensus LogP
2.09
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.26

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (67.2%): Flammable liquid and vapor [Warning Flammable liquids] H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (34.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (41.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (41.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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