CAS 872-31-1 3-Bromothiophene molecular structure

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CAS RN: 872-31-1

3-Bromothiophene

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250612	5g / 25g / 100g / 500g	Confirm by inquiry	Shanghai, Shandong, Guangdong, Hebei	Inquiry

Product code: SSC-196885

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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, 1000g
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 872-31-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
25g	>97%	5 In Stock	Shanghai	Inquiry
100g	>97%	5 In Stock	Hong Kong	Inquiry
500g	>97%	0 Out of Stock	Shenzhen	Inquiry
1000g	>97%	0 Out of Stock	Beijing	Inquiry

872-31-1 / 3-bromothiophene

Standard CAS: 872-31-1 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

872-31-1

Multi CAS

Yes

Molecular Formula

C4H3BRS

Molecular Weight

163.040000

Exact Mass

161.913880

InChI

InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H

InChIKey

XCMISAPCWHTVNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

H-bond acceptors

Molar refractivity

32.02

TPSA

28.2000

LogP / Solubility

WLOGP

2.51

MLOGP

2.2

XLogP3

2.6

Consensus LogP

2.44

Log S (ESOL)

-3.05

Class (ESOL)

Poorly soluble

Log S (Ali)

-2.71

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.8

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)

-1.93

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 872-31-1

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 872-31-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name

3-bromothiophene

Safety Information (GHS)

Pictogram(s): GHS02, GHS06, GHS07, GHS09. Signal word: Danger.

H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]
H301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral]
H310+H330 (44.6%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation]
H310 (92.4%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H315 (51.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (47.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (98.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H330 (89.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
H335 (94.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H411 (98.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary statements: P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, 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: Keep the container tightly closed in a cool, dry and well-ventilated place. 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.