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2-Methyl-3-nitrophenyl trifluoromethanesulphonate - ≥95% , CAS No.1446016-49-4

2-Methyl-3-nitrophenyl trifluoromethanesulphonate - ≥95% , CAS No.1446016-49-4

Name: 2-Methyl-3-nitrophenyl trifluoromethanesulphonate - ≥95% , CAS No.1446016-49-4
Brand: Aladdin Scientific
SKU: M958522
Availability: InStock

CAS: 1446016-49-4 Cat. No.: M958522 Molecular Weight: 285.19 PubChem CID: 75412051

COA

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2-Methyl-3-nitrophenyl trifluoromethanesulphonate - ≥95% CAS No(1446016-49-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

Canonical Smiles	CC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
IUPAC Name	(2-methyl-3-nitrophenyl) trifluoromethanesulfonate
InChIKey	RRSCNISMYHCNPO-UHFFFAOYSA-N
INCHI	1S/C8H6F3NO5S/c1-5-6(12(13)14)3-2-4-7(5)17-18(15,16)8(9,10)11/h2-4H,1H3
Isomeric SMILES	CC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
PubChem CID	75412051
Molecular Weight	285.19

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.200 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	284.992 Da
Monoisotopic Mass	284.992 Da
Topological Polar Surface Area	97.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	410.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Reviews

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