[email protected]
CAS 16618-67-0 3-Bromo-5-nitroanisole molecular structure lightbox
CAS RN: 16618-67-0

3-Bromo-5-nitroanisole

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260322 100g In stock Inquiry
Batchno.20251114 10g Out of stock Inquiry
Batchno.20260512 1g In stock Inquiry
Batchno.20260305 250mg In stock Inquiry
Batchno.20250210 25g In stock Inquiry
Batchno.20260524 500g In stock Inquiry
Batchno.20251029 5g In stock Inquiry
  • Product code: SSC-072542
GET A QUOTE
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, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 16618-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

16618-67-0 / 1-bromo-3-methoxy-5-nitrobenzene

Standard CAS: 16618-67-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16618-67-0
Multi CAS
No
Molecular Formula
C7H6BrNO3
Molecular Weight
232.030000
Exact Mass
230.953110
SMILES
COC1=CC(=CC(=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
InChIKey
MEQKSFQEPDRNEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.35
TPSA
52.37

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.46

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 (75%): 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

Customers Also Viewed

Get In Touch

Contact Us