CAS 1735-91-7 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID molecular structure

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CAS RN: 1735-91-7

2-NITRO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID

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7 package records6 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20251227	100g	In stock		Inquiry
Batchno.20250411	1g	In stock		Inquiry
Batchno.20250211	1g / 5g	Out of stock	8-10 business days	Inquiry
Batchno.20260415	250mg	In stock		Inquiry
Batchno.20250928	25g	In stock		Inquiry
Batchno.20251005	50mg	In stock		Inquiry
Batchno.20250430	5g	In stock		Inquiry

Product code: SSC-076191

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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, 5g, 10g, 25g
Available purity: ≥95%
Inventory rows with stock: 1
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 1735-91-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	1 In Stock	Shenzhen	Inquiry
5g	≥95%	0 Out of Stock	Hong Kong	Inquiry
10g	≥95%	0 Out of Stock	Beijing	Inquiry
25g	≥95%	0 Out of Stock	Beijing	Inquiry

1735-91-7 / 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid

Standard CAS: 1735-91-7 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1735-91-7

Multi CAS

Molecular Formula

C9H6F3NO4

Molecular Weight

249.140000

Exact Mass

249.024892

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15)

InChIKey

DUDZAZPWJFTDPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

49.44

TPSA

80.44

LogP / Solubility

WLOGP

2.24

MLOGP

1.98

XLogP3

2.1

Consensus LogP

2.11

Log S (ESOL)

-2.86

Class (ESOL)

Moderately soluble

Log S (Ali)

-3.22

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.5

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.65

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

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264+P265, P280, P305+P351+P338, and P337+P317

Applications of CAS 1735-91-7

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1735-91-7 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.