4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride - ≥97% , CAS No.39234-83-8

CAS: 39234-83-8 Cat. No.: N170095 Molecular Weight: 289.62 EC Number: 625-240-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
4-nitro-3-(trifluoromethyl)benzene-1-sulfonyl chloride | AS-46339 | 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride, 97% | AKOS005254674 | SCHEMBL1422737 | A824475 | CL9416 | 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride | 4-nitro-3-(trifluorome
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
Status
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250mg
N170095-250mg
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1g
N170095-1g
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5g
N170095-5g
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25g
N170095-25g
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
4-nitro-3-(trifluoromethyl)benzene-1-sulfonyl chloride | AS-46339 | 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride, 97% | AKOS005254674 | SCHEMBL1422737 | A824475 | CL9416 | 4-Nitro-3-(trifluoromethyl)benzenesulfonyl chloride | 4-nitro-3-(trifluorome
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)[N+](=O)[O-]
IUPAC Name4-nitro-3-(trifluoromethyl)benzenesulfonyl chloride
InChIKeyLJQUNSRHHHYXEW-UHFFFAOYSA-N
INCHI1S/C7H3ClF3NO4S/c8-17(15,16)4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
Isomeric SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)[N+](=O)[O-]
WGK Germany 3
Molecular Weight 289.62
Reaxy-Rn 2880842
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2880842&ln=

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.

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📊 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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Benzenesulfonyl chlorides  Nitrobenzenes  Nitroaromatic compounds  Sulfonyls  Sulfonyl chlorides  Organosulfonic acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonyl chloride - Trifluoromethylbenzene - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight289.620 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass288.942 Da
Monoisotopic Mass288.942 Da
Topological Polar Surface Area88.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity399.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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