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CAS 119179-66-7 6-CHLORO-7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN molecular structure lightbox
CAS RN: 119179-66-7

6-CHLORO-7-HYDROXY-4-(TRIFLUOROMETHYL)COUMARIN

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 1g In stock Inquiry
Batchno.20251028 250mg In stock Inquiry
Batchno.20251107 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 1g In stock Shanghai Inquiry
Batchno.20260329 250mg In stock Shanghai Inquiry
Batchno.20260428 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250503 5g In stock Shanghai Inquiry
  • Product code: SSC-019647
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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: 1g
  • Available purity: ≥95%
  • 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 119179-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

119179-66-7 / 6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one

DTXSID30420671 | 6-Chloro-7-hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one | RefChem:308040

Standard CAS: 119179-66-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119179-66-7
Multi CAS
Yes
Molecular Formula
C10H4ClF3O3
Molecular Weight
264.580000
Exact Mass
263.980106
SMILES
C1=C2C(=CC(=O)OC2=CC(=C1Cl)O)C(F)(F)F
InChI
InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H
InChIKey
AJOANILONFCHFL-UHFFFAOYSA-N
Synonyms
DTXSID30420671 6-Chloro-7-hydroxy-4-(trifluoromethyl)-2H-1-benzopyran-2-one RefChem:308040 DTXCID70371517 6-Chloro-7-hydroxy-4-(trifluoromethyl)coumarin

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.16
TPSA
50.44

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.6
Consensus LogP
2.86
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): 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 (100%): 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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