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CAS 1975-51-5 2-Methyl-4-nitrobenzoic acid molecular structure lightbox
CAS RN: 1975-51-5

2-Methyl-4-nitrobenzoic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260320 100g In stock Inquiry
Batchno.20251009 1g In stock Inquiry
Batchno.20250605 25g In stock Inquiry
Batchno.20251018 5g In stock Inquiry
  • Product code: SSC-093126
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 1975-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 4 In Stock Beijing Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

1975-51-5 / 2-methyl-4-nitrobenzoic acid

Standard CAS: 1975-51-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1975-51-5
Multi CAS
No
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
XXXOBNJIIZQSPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.79
TPSA
80.44

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.69

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (16%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (82%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (16%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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