Sodium bicarbonate-(¹³C) - ≥99 atom% 13C,≥98% , CAS No.87081-58-1

CAS: 87081-58-1 Cat. No.: S331496 분자식: NaH(¹³C)O₃ 분자량: 85.00 Beilstein Registry Number: 4153970(unlabeled)} EC 번호: 205-633-8(unlabeled)

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Sodium hydrogencarbonate-13C | 13C Labeled sodium bicarbonate

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

개요

Store at room temperature away from light and moisture.

Specifications

동의어

Sodium hydrogencarbonate-13C | 13C Labeled sodium bicarbonate

사양 및 순도

≥99 atom% 13C,≥98%

보관 조건

Protected from light,Room temperature,Argon charged

배송

Normal

순수함

≥99 atom% 13C,≥98%

제품 특성

pKa

pKₐ: 6.37 in carbonic acid, pKₐ: 10.25 in carbonic acid (unlabeled)

이름과 식별자

Pubchem Sid

504769683

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769683

정식 스마일

C(=O)(O)[O-].[Na+]

IUPAC Name

sodium;hydroxyformate

InChIKey

UIIMBOGNXHQVGW-YTBWXGASSA-M

INCHI

1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1/i1+1;

이성체 SMILES

[13C](=O)(O)[O-].[Na+]

WGK 독일

3

RTECS

VZ0950000 (unlabeled)

대체 CAS

144-55-8 (unlabeled)

분자량

85.00

Beilstein

4153970(unlabeled)}

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in water (100 mg/ml). (unlabeled)
• 감도: Hygroscopic；Light sensitive
• 녹는점(°C): >300° C (lit.)
• 분자량: 84.999 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.9857 Da
• Monoisotopic Mass: 84.9857 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• Isotope Atom Count: 1
• 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: 2

XLogP3

자주 묻는 질문

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87081-58-1, the molecular formula is NaH(13C)O3, and the molecular weight is 85.00 g/mol. InChIKey UIIMBOGNXHQVGW-YTBWXGASSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.