[email protected]
CAS 14804-31-0 5-Bromo-2-methoxytoluene molecular structure lightbox
CAS RN: 14804-31-0

5-Bromo-2-methoxytoluene

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 100g In stock Inquiry
Batchno.20250827 25g In stock Inquiry
Batchno.20250218 500g In stock Inquiry
Batchno.20260117 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100g In stock Shanghai Inquiry
Batchno.20260528 25g In stock Shanghai, Guangdong Inquiry
Batchno.20251226 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-058481
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: 100g
  • Available purity: ＞97%
  • 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 14804-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

14804-31-0 / 4-bromo-1-methoxy-2-methylbenzene

Standard CAS: 14804-31-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14804-31-0
Multi CAS
No
Molecular Formula
C8H9BrO
Molecular Weight
201.060000
Exact Mass
199.983680
SMILES
CC1=C(C=CC(=C1)Br)OC
InChI
InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChIKey
UDLRGQOHGYWLCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.43
TPSA
9.23

LogP / Solubility

WLOGP
2.77
MLOGP
2.43
XLogP3
3.5
Consensus LogP
2.9
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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 (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