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CAS 1017083-37-2 4-HYDROXY-2-(TRIFLUOROMETHOXY)BENZALDEHYDE molecular structure lightbox
CAS RN: 1017083-37-2

4-HYDROXY-2-(TRIFLUOROMETHOXY)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260131 1g In stock Inquiry
Batchno.20250127 250mg In stock Inquiry
Batchno.20251102 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251114 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260213 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251117 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20251113 25g Out of stock Inquiry
Batchno.20251104 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-002644
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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, 10g
  • 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 1017083-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

1017083-37-2 / 4-hydroxy-2-(trifluoromethoxy)benzaldehyde

4-Hydroxy-2-(trifluoromethoxy)benzaldehyde | DTXSID00641053 | RefChem:293155

Standard CAS: 1017083-37-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017083-37-2
Multi CAS
No
Molecular Formula
C8H5F3O3
Molecular Weight
206.120000
Exact Mass
206.019079
SMILES
C1=CC(=C(C=C1O)OC(F)(F)F)C=O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-6(13)2-1-5(7)4-12/h1-4,13H
InChIKey
HPHHSFUXCMITFI-UHFFFAOYSA-N
Synonyms
4-Hydroxy-2-(trifluoromethoxy)benzaldehyde DTXSID00641053 RefChem:293155 DTXCID20591804 807-051-5

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.18
TPSA
46.53

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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 (100%): 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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