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CAS 117519-16-1 2-Bromo-6-trifluoromethyl-pyridin-3-ylamine molecular structure lightbox
CAS RN: 117519-16-1

2-Bromo-6-trifluoromethyl-pyridin-3-ylamine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250704 1g In stock Inquiry
Batchno.20250802 25g In stock Inquiry
Batchno.20260205 5g In stock Inquiry
  • Product code: SSC-017376
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117519-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

117519-16-1 / 2-bromo-6-(trifluoromethyl)pyridin-3-amine

2-Bromo-6-(trifluoromethyl)pyridin-3-amine | DTXSID60558390 | RefChem:257433

Standard CAS: 117519-16-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117519-16-1
Multi CAS
No
Molecular Formula
C6H4BrF3N2
Molecular Weight
241.010000
Exact Mass
239.951000
SMILES
C1=CC(=NC(=C1N)Br)C(F)(F)F
InChI
InChI=1S/C6H4BrF3N2/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H,11H2
InChIKey
NCOWBQRCCMJSKW-UHFFFAOYSA-N
Synonyms
2-Bromo-6-(trifluoromethyl)pyridin-3-amine DTXSID60558390 RefChem:257433 DTXCID70509171 833-952-8

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.35
TPSA
38.91

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.45

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
H302 (100%): Harmful if swallowed [Warning 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+P317, 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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