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CAS 118-48-9 Isatoic Anhydride molecular structure lightbox
CAS RN: 118-48-9

Isatoic Anhydride

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251207 1kg In stock Shanghai, Tianjin Inquiry
Batchno.20250528 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251031 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-017855
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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: 25g, 100g, 500g
  • 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 118-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 3 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

118-48-9 / 1H-3,1-benzoxazine-2,4-dione

Isatoic anhydride | 2H-3,1-Benzoxazine-2,4(1H)-dione | 4H-3,1-Benzoxazine-2,4(1H)-dione

Standard CAS: 118-48-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
118-48-9
Multi CAS
Yes
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
SMILES
C1=CC=C2C(=C1)C(=O)OC(=O)N2
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey
TXJUTRJFNRYTHH-UHFFFAOYSA-N
Synonyms
Isatoic anhydride 2H-3,1-Benzoxazine-2,4(1H)-dione 4H-3,1-Benzoxazine-2,4(1H)-dione ISATOIC ACID ANHYDRIDE N-Carboxyanthranilic anhydride

Physical Properties

Melting Point
243 °C WITH DECOMPOSITION
Physical Description
Dry Powder Tan solid; [Hawley] Grey powder
Appearance
PRISM FROM ALC OR GLACIAL ACETIC ACID; CRYSTALS FROM ALCOHOL OR DIOXANE TAN POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.1
TPSA
63.07

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
1
Consensus LogP
0.63
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H317 (94.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (94.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501

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