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CAS 1020717-99-0 4-BROMO-5-FLUORO-2-NITROBENZOIC ACID molecular structure lightbox
CAS RN: 1020717-99-0

4-BROMO-5-FLUORO-2-NITROBENZOIC ACID

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251211 100g Out of stock Inquiry
Batchno.20250804 1g In stock Inquiry
Batchno.20260127 250mg In stock Inquiry
Batchno.20251130 25g In stock Inquiry
Batchno.20250407 5g In stock Inquiry
  • Product code: SSC-003318
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 1020717-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 3 In Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

1020717-99-0 / 4-bromo-5-fluoro-2-nitrobenzoic acid

4-BROMO-5-FLUORO-2-NITROBENZOIC ACID | DTXSID60652029 | RefChem:98143

Standard CAS: 1020717-99-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1020717-99-0
Multi CAS
Yes
Molecular Formula
C7H3BrFNO4
Molecular Weight
264.000000
Exact Mass
262.922950
SMILES
C1=C(C(=CC(=C1F)Br)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7H3BrFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
InChIKey
JZVCMOJSPCGLTC-UHFFFAOYSA-N
Synonyms
4-BROMO-5-FLUORO-2-NITROBENZOIC ACID DTXSID60652029 RefChem:98143 DTXCID90602779 642-808-1

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.71
TPSA
80.44

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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