[email protected]
CAS 120315-65-3 4-Bromo-3-methoxybenzonitrile molecular structure lightbox
CAS RN: 120315-65-3

4-Bromo-3-methoxybenzonitrile

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260529 100g Out of stock Inquiry
Batchno.20250318 1g In stock Inquiry
Batchno.20250613 25g In stock Inquiry
Batchno.20250517 5g In stock Inquiry
  • Product code: SSC-021178
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120315-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 4 In Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry
1000g >98% 0 Out of Stock Shenzhen Inquiry

120315-65-3 / 4-bromo-3-methoxybenzonitrile

4-Bromo-3-methoxybenzonitrile | DTXSID10626654 | RefChem:290868

Standard CAS: 120315-65-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120315-65-3
Multi CAS
No
Molecular Formula
C8H6BrNO
Molecular Weight
212.040000
Exact Mass
210.963280
SMILES
COC1=C(C=CC(=C1)C#N)Br
InChI
InChI=1S/C8H6BrNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChIKey
TWBFZKKJFREYES-UHFFFAOYSA-N
Synonyms
4-Bromo-3-methoxybenzonitrile DTXSID10626654 RefChem:290868 DTXCID80577407 801-739-9

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.41
TPSA
33.02

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.36

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us