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CAS 1038-66-0 4,4′-Diaminooctafluorobiphenyl molecular structure lightbox
CAS RN: 1038-66-0

4,4′-Diaminooctafluorobiphenyl

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260116 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250406 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-005411
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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: 25g
  • 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 1038-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

1038-66-0 / 4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroaniline

4,4'-Diaminooctafluorobiphenyl | [1,1'-Biphenyl]-4,4'-diamine, 2,2',3,3',5,5',6,6'-octafluoro- | Octafluoro-4,4'-biphenylenediamine

Standard CAS: 1038-66-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1038-66-0
Multi CAS
Yes
Molecular Formula
C12H4F8N2
Molecular Weight
328.160000
Exact Mass
328.024673
SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)N)F)F
InChI
InChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2
InChIKey
FWOLORXQTIGHFX-UHFFFAOYSA-N
Synonyms
4,4'-Diaminooctafluorobiphenyl [1,1'-Biphenyl]-4,4'-diamine, 2,2',3,3',5,5',6,6'-octafluoro- Octafluoro-4,4'-biphenylenediamine (1,1'-Biphenyl)-4,4'-diamine, 2,2',3,3',5,5',6,6'-octafluoro- RefChem:855790

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.37
TPSA
52.04

LogP / Solubility

WLOGP
3.63
MLOGP
3.21
XLogP3
3
Consensus LogP
3.28
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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