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CAS 1227597-53-6 4-BroMo-2,3-difluoropyridine molecular structure lightbox
CAS RN: 1227597-53-6

4-BroMo-2,3-difluoropyridine

  • Product code: SSC-026159
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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: 10g, 5g, 1g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 1227597-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
5g >95% 4 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Beijing Inquiry
25g >95% 3 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
100g >95% 1 In Stock Hong Kong Inquiry

1227597-53-6 / 4-bromo-2,3-difluoropyridine

Standard CAS: 1227597-53-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1227597-53-6
Multi CAS
No
Molecular Formula
C5H2BrF2N
Molecular Weight
193.980000
Exact Mass
192.933870
SMILES
C1=CN=C(C(=C1Br)F)F
InChI
InChI=1S/C5H2BrF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChIKey
FDDSLPSJQMGNQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.85
TPSA
12.89

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.4

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)
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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