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CAS 1996-23-2 TETRAFLUOROBENZENE-1,2-DIOL molecular structure lightbox
CAS RN: 1996-23-2

TETRAFLUOROBENZENE-1,2-DIOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260131 1g In stock Shanghai Inquiry
Batchno.20250728 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251025 5g In stock Shanghai Inquiry
  • Product code: SSC-093952
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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: 0.1g
  • Available purity: ＞97%
  • 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 1996-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

1996-23-2 / 3,4,5,6-tetrafluorobenzene-1,2-diol

Standard CAS: 1996-23-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1996-23-2
Multi CAS
No
Molecular Formula
C6H2F4O2
Molecular Weight
182.070000
Exact Mass
181.999092
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)O)O
InChI
InChI=1S/C6H2F4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChIKey
AQSZAISVBFUJQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.6
TPSA
40.46

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.8
Consensus LogP
1.97
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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