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CAS 10472-88-5 2-Bromo-4-fluoro-6-nitroaniline molecular structure lightbox
CAS RN: 10472-88-5

2-Bromo-4-fluoro-6-nitroaniline

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100g Out of stock Inquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20250831 25g Out of stock Inquiry
Batchno.20250710 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006473
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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: 1g, 5g, 10g, 25g
  • 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 10472-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

10472-88-5 / 2-bromo-4-fluoro-6-nitroaniline

2-bromo-4-fluoro-6-nitroaniline | DTXSID80303268 | RefChem:466541

Standard CAS: 10472-88-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10472-88-5
Multi CAS
Yes
Molecular Formula
C6H4BrFN2O2
Molecular Weight
235.010000
Exact Mass
233.944020
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)F
InChI
InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
InChIKey
HCYDUPDSEDHSQB-UHFFFAOYSA-N
Synonyms
2-bromo-4-fluoro-6-nitroaniline DTXSID80303268 RefChem:466541 DTXCID60254401 641-202-4

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.17
TPSA
69.16

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.68

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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