Dinoterb acetate - analytical standard , CAS No.3204-27-1

CAS: 3204-27-1 Cat. No.: D114845 Formule: C12H14N2O6 Poids moléculaire: 282.25 Beilstein Registry Number: 2163325 Numéro CE: 221-706-7
DISPONIBLE À COMMANDE
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
EINECS 221-706-7 | P-1108 | Dinoterb acetate [ISO] | DTXSID50185856 | Q27283988 | Dinoterb acetate, PESTANAL(R), analytical standard | 2-tert-Butyl-4,6-dinitro-phenol acetate | SCHEMBL159495 | 2-tert-Butyl-4,6-dinitrophenyl acetate | J-018613 | BMJYKXALMD
Storage
Room temperature
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
250mg
D114845-250mg
Sur commande · 8–12 semaines

229,00€

267,18€
Enregistrer 38,18 € (14.29%)
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Why this grade

analytical standard Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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

Synonymes
EINECS 221-706-7 | P-1108 | Dinoterb acetate [ISO] | DTXSID50185856 | Q27283988 | Dinoterb acetate, PESTANAL(R), analytical standard | 2-tert-Butyl-4,6-dinitro-phenol acetate | SCHEMBL159495 | 2-tert-Butyl-4,6-dinitrophenyl acetate | J-018613 | BMJYKXALMD
Spécifications et pureté
analytical standard
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Grade
Étalon d'analyse
Noms et identifiants
Sourires canoniquesCC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C
IUPAC Name(2-tert-butyl-4,6-dinitrophenyl) acetate
InChIKeyBMJYKXALMDAIEG-UHFFFAOYSA-N
INCHI1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3
Isomères SMILES CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C
WGK Allemagne 3
RTECS SK0175000
Numéro ONU 2811
Poids moléculaire 282.25
Beilstein 2163325
Reaxy-Rn 2163325
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2163325&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassePhenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Phenylpropanes  Nitrobenzenes  Phenoxy compounds  Nitroaromatic compounds  Carboxylic acid esters  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenol ester - Nitrobenzene - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Point d'éclair (°F)>100 °C
Point d'éclair (°C)>100°C
Poids moléculaire282.250 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass282.085 Da
Monoisotopic Mass282.085 Da
Topological Polar Surface Area118.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity406.000
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
Calculateurs de solution
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