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CAS 1060805-68-6 4-BroMo-2-chloropyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 1060805-68-6

4-BroMo-2-chloropyridine-3-carboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250803 1g In stock Inquiry
Batchno.20260305 250mg In stock Inquiry
Batchno.20250618 5g In stock Inquiry
  • Product code: SSC-007779
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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: ≥95%
  • 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 1060805-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1060805-68-6 / 4-bromo-2-chloropyridine-3-carboxylic acid

5-Bromo-2-chloronitrobenzene | 4-bromo-1-chloro-2-nitrobenzene | DTXSID80355888

Standard CAS: 1060805-68-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060805-68-6
Multi CAS
Yes
Molecular Formula
C6H3BrClNO2
Molecular Weight
236.450000
Exact Mass
234.903570
SMILES
C1=CN=C(C(=C1Br)C(=O)O)Cl
InChI
InChI=1S/C6H3BrClNO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11)
InChIKey
WXSVIABMUKWVTC-UHFFFAOYSA-N
Synonyms
5-Bromo-2-chloronitrobenzene 4-bromo-1-chloro-2-nitrobenzene DTXSID80355888 RefChem:533148 DTXCID90306947

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.91
TPSA
50.19

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.6

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
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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