[email protected]
CAS 1099597-92-8 3,6-Difluoro-2-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1099597-92-8

3,6-Difluoro-2-(trifluoromethyl)pyridine

  • Product code: SSC-011203
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1099597-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1099597-92-8 / 3,6-difluoro-2-(trifluoromethyl)pyridine

3,6-Difluoro-2-(trifluoromethyl)pyridine | DTXSID80653371 | RefChem:272356

Standard CAS: 1099597-92-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1099597-92-8
Multi CAS
No
Molecular Formula
C6H2F5N
Molecular Weight
183.080000
Exact Mass
183.010740
SMILES
C1=CC(=NC(=C1F)C(F)(F)F)F
InChI
InChI=1S/C6H2F5N/c7-3-1-2-4(8)12-5(3)6(9,10)11/h1-2H
InChIKey
GOFPGPTXLNVIQI-UHFFFAOYSA-N
Synonyms
3,6-Difluoro-2-(trifluoromethyl)pyridine DTXSID80653371 RefChem:272356 DTXCID80604121 3,6-Difluoro-2-trifluoromethylpyridine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
29.16
TPSA
12.89

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.3
Consensus LogP
2.26
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.15

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] H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us