CAS 1072951-50-8 2-Hydroxy-4-(trifluoromethyl)phenylboronic acid molecular structure

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CAS RN: 1072951-50-8

2-Hydroxy-4-(trifluoromethyl)phenylboronic acid

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4 package records4 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20251026	1g	In stock	Shanghai, Shenzhen	Inquiry
Batchno.20260323	250mg	In stock	Shanghai, Wuhan, Chengdu	Inquiry
Batchno.20250116	25g	In stock	Shanghai	Inquiry
Batchno.20250327	5g	In stock	Shanghai, Tianjin, Wuhan, Chengdu	Inquiry

Product code: SSC-008804

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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, 0.25g, 5g, 10g, 25g, 100g
Available purity: >98%
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 1072951-50-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>98%	3 In Stock	Shenzhen	Inquiry
0.25g	>98%	2 In Stock	Beijing	Inquiry
5g	>98%	0 Out of Stock	Shanghai	Inquiry
10g	>98%	0 Out of Stock	Shenzhen	Inquiry
25g	>98%	0 Out of Stock	Beijing	Inquiry
100g	>98%	0 Out of Stock	Shanghai	Inquiry

1072951-50-8 / [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid

(2-Hydroxy-4-(trifluoromethyl)phenyl)boronic acid | [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid | DTXSID50674735

Standard CAS: 1072951-50-8 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1072951-50-8

Multi CAS

Molecular Formula

C7H6BF3O3

Molecular Weight

205.930000

Exact Mass

206.036209

SMILES

B(C1=C(C=C(C=C1)C(F)(F)F)O)(O)O

InChI

InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-2-5(8(13)14)6(12)3-4/h1-3,12-14H

InChIKey

GYGNUMOLFBSVCL-UHFFFAOYSA-N

Synonyms

(2-Hydroxy-4-(trifluoromethyl)phenyl)boronic acid [2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid DTXSID50674735 RefChem:550971 DTXCID50625484

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.14

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

42.93

TPSA

60.69

LogP / Solubility

WLOGP

0.09

MLOGP

0.08

XLogP3

0.09

Consensus LogP

0.09

Log S (ESOL)

-1.43

Class (ESOL)

Soluble

Log S (Ali)

-1.31

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.19

Class (SILICOS-IT)

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)

-3.91

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 1072951-50-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1072951-50-8 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

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.