cianoacetato de terc-butilo - ≥98% , CAS No.1116-98-9

CAS: 1116-98-9 Cat. No.: T121626 Peso molecular: 141.17 Beilstein Registry Number: 1755933 Número EC: 214-243-7 PubChem CID: 70693
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
NSC1072 | NSC-1072 | PWT31M9VDL | tert-butyl-2-cyanoacetate | tert-butyl2-cyanoacetate | Z237573790 | SY007488 | A802398 | Acetic acid, 2-cyano-, 1,1-dimethylethyl ester | Benzenepropanoic acid, .alpha.,.beta.-dibromo-4-fluoro-, ethyl ester | D70419 | EN3
Storage
Conservar a 2-8°C,cargado con argón
Shipped In
Hielo húmedo
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5ml
T121626-5ml
1
9,90US$
25ml
T121626-25ml
1
11,90US$
100ml
T121626-100ml
1
35,90US$
250ml
T121626-250ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
74,90US$
500ml
T121626-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
114,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Conservar a 2-8°C,cargado con argón Ships Hielo húmedo 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

Sinónimos
NSC1072 | NSC-1072 | PWT31M9VDL | tert-butyl-2-cyanoacetate | tert-butyl2-cyanoacetate | Z237573790 | SY007488 | A802398 | Acetic acid, 2-cyano-, 1, 1-dimethylethyl ester | Benzenepropanoic acid, .alpha., .beta.-dibromo-4-fluoro-, ethyl ester | D70419 | EN3
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C, cargado con argón
Enviado en
Hielo húmedo
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC(C)(C)OC(=O)CC#N
IUPAC Nametert-butyl 2-cyanoacetate
InChIKeyBFNYNEMRWHFIMR-UHFFFAOYSA-N
INCHI1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
Isómeros SMILES CC(C)(C)OC(=O)CC#N
WGK Alemania 3
PubChem CID 70693
Peso molecular 141.17
Beilstein 1755933
Reaxy-Rn 1755933

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
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentCarboxylic acid esters
Alternative Parents Nitriles  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeFechaArticulo
I1805077Certificate of AnalysisApr 15, 2026 T121626
L2107426Certificate of AnalysisSep 09, 2025 T121626
B1321009Certificate of AnalysisDec 20, 2024 T121626
I2526592Certificate of AnalysisJul 19, 2024 T121626
F2425423Certificate of AnalysisApr 02, 2024 T121626
F2425424Certificate of AnalysisApr 02, 2024 T121626
G2429077Certificate of AnalysisApr 02, 2024 T121626
Propiedades químicas y físicas
SensibilidadHeat&Moisture sensitive
Índice de refracción1.42
Punto de inflamación (°F)244.4 °F
Punto de inflamación (°C)91°C
Punto de ebullición (°C)108°C/23mmHg
Peso molecular141.170 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass141.079 Da
Monoisotopic Mass141.079 Da
Topological Polar Surface Area50.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity170.000
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
Calculadoras de soluciones
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