(4-Hydroxy-3-methoxy-5-nitrophenyl)(p-tolyl)methanone - ≥98% , CAS No.134612-80-9

CAS: 134612-80-9 Cat. No.: H190633 Molecular Weight: 287.27
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371 | Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)- | METHYLTOLCAPONE, 3-O- | 3-METHOXYTOLCAPONE | LVE | (4-Hydroxy-3-metho
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
H190633-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$48.90

$73.90
Save $25.00 (33.83%)
250mg
H190633-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$179.90

$269.90
Save $90.00 (33.35%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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
AKOS025146460 | HY-100642 | FT-0672265 | UNII-F90Q84HN93 | 4-Hydroxy-3-methoxy-4'-methyl-5-nitrobenzophenone | C72371 | Methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)- | METHYLTOLCAPONE, 3-O- | 3-METHOXYTOLCAPONE | LVE | (4-Hydroxy-3-metho
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
IUPAC Name(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
InChIKeyVCNSNEJUGBEWTA-UHFFFAOYSA-N
INCHI1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
Isomeric SMILES CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
Molecular Weight 287.27
Reaxy-Rn 8917682
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8917682&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.

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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzophenones
Intermediate Tree Nodes Not available
Direct ParentBenzophenones
Alternative Parents Aryl-phenylketones  Diphenylmethanes  Nitrophenyl ethers  Nitrophenols  Methoxyphenols  Methoxyanilines  Phenoxy compounds  Anisoles  Benzoyl derivatives  Nitroaromatic compounds  Methoxybenzenes  Toluenes  Alkyl aryl ethers  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Hydrocarbon derivatives  Organic oxides  Organic zwitterions  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzophenone - Diphenylmethane - Aryl-phenylketone - Nitrophenyl ether - Methoxyphenol - Nitrophenol - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Methoxybenzene - Aryl ketone - Phenol ether - Alkyl aryl ether - Phenol - Toluene - Ketone - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl 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 Weight287.270 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass287.079 Da
Monoisotopic Mass287.079 Da
Topological Polar Surface Area92.400 Ų
Heavy Atom Count21
Formal Charge0
Complexity386.000
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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