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CAS 1206249-40-2 2-bromo-3,5-dichloropyrazine molecular structure lightbox
CAS RN: 1206249-40-2

2-bromo-3,5-dichloropyrazine

  • Product code: SSC-021664
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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: 5g
  • 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 1206249-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1206249-40-2 / 2-bromo-3,5-dichloropyrazine

2-bromo-3,5-dichloropyrazine | DTXSID30695948 | RefChem:256996

Standard CAS: 1206249-40-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206249-40-2
Multi CAS
Yes
Molecular Formula
C4HBrCl2N2
Molecular Weight
227.870000
Exact Mass
225.870020
SMILES
C1=C(N=C(C(=N1)Br)Cl)Cl
InChI
InChI=1S/C4HBrCl2N2/c5-3-4(7)9-2(6)1-8-3/h1H
InChIKey
CCUUKMSFOYYAKB-UHFFFAOYSA-N
Synonyms
2-bromo-3,5-dichloropyrazine DTXSID30695948 RefChem:256996 DTXCID30646697 899-683-3

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
39.75
TPSA
25.78

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.5
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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