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CAS 1817-73-8 2-Bromo-4,6-dinitroaniline molecular structure lightbox
CAS RN: 1817-73-8

2-Bromo-4,6-dinitroaniline

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 100g In stock Inquiry
Batchno.20250404 2.5kg In stock Inquiry
Batchno.20250905 25g In stock Inquiry
Batchno.20260316 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 100g In stock Shandong, Guangdong Inquiry
Batchno.20250812 25g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-082555
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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: 500g
  • Available purity: ≥97%
  • 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 1817-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

1817-73-8 / 2-bromo-4,6-dinitroaniline

Standard CAS: 1817-73-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1817-73-8
Multi CAS
No
Molecular Formula
C6H4BrN3O4
Molecular Weight
262.020000
Exact Mass
260.938520
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
InChIKey
KWMDHCLJYMVBNS-UHFFFAOYSA-N

Physical Properties

Melting Point
307 to 309 °F (NTP, 1992) 153 °C
Boiling Point
Sublimes (NTP, 1992)
Physical Description
2-bromo-4,6-dinitroaniline is a bright yellow powder. (NTP, 1992) Yellow solid; [HSDB] Powder
Appearance
YELLOW NEEDLES FROM ACETIC ACID OR ALCOHOL
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.86
TPSA
112.3

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H228 (16.7%): Flammable solid [Danger Flammable solids] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (16.7%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P203, P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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