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CAS 107650-20-4 5-BROMO-2-METHYL-3-NITROBENZOIC ACID molecular structure lightbox
CAS RN: 107650-20-4

5-BROMO-2-METHYL-3-NITROBENZOIC ACID

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251016 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260105 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-009139
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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, 500g
  • Available purity: >97%
  • Inventory rows with stock: 12
  • 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 107650-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g -- 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g -- 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g -- 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
500g -- 1 In Stock Beijing Inquiry
500g >97% 1 In Stock Shenzhen Inquiry

107650-20-4 / 5-bromo-2-methyl-3-nitrobenzoic acid

5-Bromo-2-methyl-3-nitrobenzoic Acid | DTXSID10548948 | RefChem:301709

Standard CAS: 107650-20-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107650-20-4
Multi CAS
Yes
Molecular Formula
C8H6BrNO4
Molecular Weight
260.040000
Exact Mass
258.948020
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
InChI
InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChIKey
DXUUJILVHXQDCV-UHFFFAOYSA-N
Synonyms
5-Bromo-2-methyl-3-nitrobenzoic Acid DTXSID10548948 RefChem:301709 DTXCID40499732 MFCD07357316

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.49
TPSA
80.44

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.63

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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