CAS 117-21-5 3-Chlorophthalic Anhydride molecular structure

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CAS RN: 117-21-5

3-Chlorophthalic Anhydride

Product code: SSC-016824

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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, 1000g
Available purity: ≥97%
Inventory rows with stock: 5
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 117-21-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥97%	5 In Stock	Beijing	Inquiry
10g	≥97%	5 In Stock	Shenzhen	Inquiry
25g	≥97%	5 In Stock	Shenzhen	Inquiry
100g	≥97%	5 In Stock	Hong Kong	Inquiry
500g	≥97%	2 In Stock	Beijing	Inquiry
1000g	≥97%	0 Out of Stock	Shenzhen	Inquiry

117-21-5 / 4-chloro-2-benzofuran-1,3-dione

3-Chlorophthalic anhydride | 4-chloroisobenzofuran-1,3-dione | 4-chloro-2-benzofuran-1,3-dione

Standard CAS: 117-21-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

117-21-5

Multi CAS

Molecular Formula

C8H3ClO3

Molecular Weight

182.560000

Exact Mass

181.977072

SMILES

C1=CC2=C(C(=C1)Cl)C(=O)OC2=O

InChI

InChI=1S/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

InChIKey

UERPUZBSSSAZJE-UHFFFAOYSA-N

Synonyms

3-Chlorophthalic anhydride 4-chloroisobenzofuran-1,3-dione 4-chloro-2-benzofuran-1,3-dione UNII-VO7NXT0137 Phthalic anhydride, 3-chloro-

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

H-bond acceptors

Molar refractivity

41.2

TPSA

43.37

LogP / Solubility

WLOGP

1.65

MLOGP

1.45

XLogP3

1.9

Consensus LogP

1.67

Log S (ESOL)

-2.38

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.25

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.22

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.66

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Corrosive Acute Toxic Irritant

Signal

Danger

GHS Hazard Statements

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (71.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (28.6%): 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+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 117-21-5

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 117-21-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

4-chloro-2-benzofuran-1,3-dione

Safety Information (GHS)

Pictogram(s): GHS05, GHS06, GHS07. Signal word: Danger.

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (71.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary statements: P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Store under inert gas. Avoid: Moisture Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.