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CAS 1159512-36-3 3-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 1159512-36-3

3-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)PYRIDINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260127 1g In stock Inquiry
Batchno.20260122 250mg In stock Inquiry
Batchno.20251028 5g In stock Inquiry
  • Product code: SSC-015784
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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: ＞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 1159512-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1159512-36-3 / 3-bromo-2-fluoro-6-(trifluoromethyl)pyridine

3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE | MFCD08061304 | 2-Fluoro-3-bromo-5-trifluoromethylpyridine

Standard CAS: 1159512-36-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159512-36-3
Multi CAS
Yes
Molecular Formula
C6H2BrF4N
Molecular Weight
243.980000
Exact Mass
242.930670
SMILES
C1=CC(=NC(=C1Br)F)C(F)(F)F
InChI
InChI=1S/C6H2BrF4N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
PUNDNGJEKNNZCO-UHFFFAOYSA-N
Synonyms
3-BROMO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE MFCD08061304 2-Fluoro-3-bromo-5-trifluoromethylpyridine SCHEMBL1336778 SCHEMBL31153021

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
36.9
TPSA
12.89

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.08

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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