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CAS 102153-47-9 3-bromo-1-nitronaphthalene molecular structure lightbox
CAS RN: 102153-47-9

3-bromo-1-nitronaphthalene

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260507 100mg Out of stock Inquiry
Batchno.20250826 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250228 1g Out of stock Inquiry
Batchno.20260209 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-003424
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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 102153-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

102153-47-9 / 3-bromo-1-nitronaphthalene

3-bromo-1-nitronaphthalene | DTXSID50356569 | RefChem:277204

Standard CAS: 102153-47-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102153-47-9
Multi CAS
No
Molecular Formula
C10H6BrNO2
Molecular Weight
252.060000
Exact Mass
250.958190
SMILES
C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])Br
InChI
InChI=1S/C10H6BrNO2/c11-8-5-7-3-1-2-4-9(7)10(6-8)12(13)14/h1-6H
InChIKey
SYUKHFBRPMIOTK-UHFFFAOYSA-N
Synonyms
3-bromo-1-nitronaphthalene DTXSID50356569 RefChem:277204 DTXCID60307628 3-Bromo-1-nitro-naphthalene

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.3
TPSA
43.14

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.44
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

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