[email protected]
CAS 115440-10-3 3-BROMO-1,2-DIAMINO-5-FLUOROBENZENE molecular structure lightbox
CAS RN: 115440-10-3

3-BROMO-1,2-DIAMINO-5-FLUOROBENZENE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260426 1g In stock Inquiry
Batchno.20250802 25g Out of stock Inquiry
Batchno.20260413 5g In stock Inquiry
  • Product code: SSC-015189
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: 5g
  • 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 115440-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

115440-10-3 / 3-bromo-5-fluorobenzene-1,2-diamine

3-Bromo-5-fluorobenzene-1,2-diamine | DTXSID10554685 | RefChem:277575

Standard CAS: 115440-10-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115440-10-3
Multi CAS
No
Molecular Formula
C6H6BrFN2
Molecular Weight
205.030000
Exact Mass
203.969840
SMILES
C1=C(C=C(C(=C1N)N)Br)F
InChI
InChI=1S/C6H6BrFN2/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,9-10H2
InChIKey
VCINLTLIJKUOQC-UHFFFAOYSA-N
Synonyms
3-Bromo-5-fluorobenzene-1,2-diamine DTXSID10554685 RefChem:277575 DTXCID40505468 3-Bromo-1,2-diamino-5-fluorobenzene

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.92
TPSA
52.04

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-2.73

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Customers Also Viewed

Get In Touch

Contact Us