Formic acid-d - ≥98 atom% D, ≥95wt.% in D₂O, used for - NMR spectroscopy solvent for biomolecular structure analysis - Neutron scattering experiments in materials science - metabolic labeling studies in biological research - Bromination reaction pathway i

CAS: 925-94-0 Cat. No.: F467020 분자식: CHDO₂ 분자량: 47.03 EC 번호: 213-129-4

GRADE & PURITY ≥98 atom% D, ≥95wt.% in D₂O

Synonyms

Methanoic acid

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

개요

Formic acid-d 95 wt. % in D2O, 98 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes.

Features

- Excellent solvent characteristics for NMR applications

- High deuterium content for effective labeling

- Improves the reliability of spectroscopic data

- Non-toxic and safe for laboratory environments

Benefits

- Accelerates drug formulation processes and testing

- Improves the quality of NMR results and analyses

- Increases efficiency in research studies

- Supports the development of new therapeutic strategies

Specifications

동의어

Methanoic acid

사양 및 순도

≥98 atom% D, ≥95wt.% in D₂O

애플리케이션

- NMR spectroscopy solvent for biomolecular structure analysis - Neutron scattering experiments in materials science - metabolic labeling studies in biological research - Bromination reaction pathway investigations

보관 조건

Protected from light,Room temperature,Argon charged

배송

Normal

순수함

≥98 atom% D

이름과 식별자

Pubchem Sid

528773576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773576

정식 스마일

[H]C(=O)O[2H]

IUPAC Name

deuterio formate

InChIKey

BDAGIHXWWSANSR-DYCDLGHISA-N

INCHI

1S/CH2O2/c2-1-3/h1H,(H,2,3)/i/hD

이성체 SMILES

[2H]OC=O

대체 CAS

64-18-6（Unlabeled）

분자량

47.03

Reaxy-Rn

1737695

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737695&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• 감도: Light sensitive；Moisture sensitive
• 굴절률: n20/D 1.369
• 끓는점(°C): 100.8 °C (lit.)
• 녹는점(°C): 8.2-8.4 °C (lit.)
• 분자량: 47.031 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 47.0118 Da
• Monoisotopic Mass: 47.0118 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 10.300
• 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: 1