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CAS 1017779-69-9 3-FLUORO-4-(TRIFLUOROMETHOXY)ANILINE molecular structure lightbox
CAS RN: 1017779-69-9

3-FLUORO-4-(TRIFLUOROMETHOXY)ANILINE

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 1g In stock Inquiry
Batchno.20250102 250mg In stock Inquiry
Batchno.20251231 25g In stock Inquiry
Batchno.20250521 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 100g In stock Shanghai Inquiry
Batchno.20250818 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250517 1g In stock Shanghai Inquiry
Batchno.20250105 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260130 25g In stock Shanghai Inquiry
Batchno.20260620 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-002781
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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: 5g
  • 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 1017779-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1017779-69-9 / 3-fluoro-4-(trifluoromethoxy)aniline

3-Fluoro-4-(trifluoromethoxy)aniline | DTXSID00598816 | RefChem:279400

Standard CAS: 1017779-69-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017779-69-9
Multi CAS
Yes
Molecular Formula
C7H5F4NO
Molecular Weight
195.110000
Exact Mass
195.030726
SMILES
C1=CC(=C(C=C1N)F)OC(F)(F)F
InChI
InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
InChIKey
NDCPAIUBKAIJTK-UHFFFAOYSA-N
Synonyms
3-Fluoro-4-(trifluoromethoxy)aniline DTXSID00598816 RefChem:279400 DTXCID50549575 802-116-4

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.5
TPSA
35.25

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.27

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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