1-Propanol-d₈ - ≥98 atom% D,≥99%, used for Environmental monitoring applications - Quality control reference standards - Advanced materials research and development - Analytical method development various applications , CAS No.61393-63-3

CAS: 61393-63-3 Cat. No.: P472030 분자식: C₃D₈O 분자량: 68.14 EC 번호: 685-793-7

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

D98824 | Deuterated propyl alcohol | AKOS015912469 | (~2~H_7_)Propan-1-(~2~H)ol | DTXSID30583977 | 1-Propanol-d8, 98 atom % D | 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane | 1-Propanol-d8 | Deuterated Propanol

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

1-Propanol-d8 98 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes.

Specifications

동의어

D98824 | Deuterated propyl alcohol | AKOS015912469 | (~2~H_7_)Propan-1-(~2~H)ol | DTXSID30583977 | 1-Propanol-d8, 98 atom % D | 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane | 1-Propanol-d8 | Deuterated Propanol

사양 및 순도

≥98 atom% D,≥99%

애플리케이션

Environmental monitoring applications - Quality control reference standards - Advanced materials research and development - Analytical method development

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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순수함

≥98 atom% D,≥99%

이름과 식별자

• 정식 스마일: CCCO
• IUPAC Name: 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane
• InChIKey: BDERNNFJNOPAEC-RIZALVEQSA-N
• INCHI: 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2,4D
• 이성체 SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]
• 대체 CAS: 71-23-8（unlabelled）
• UN 번호: 1274
• 분자량: 68.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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 & Moisture Sensitive
• 굴절률: n20/D 1.384 (lit.)
• 발화점(°F): 71.6 °F - closed cup
• 발화점(°C): 22 °C - closed cup
• 끓는점(°C): 97℃ (lit.)
• 녹는점(°C): −127℃ (lit.)
• 분자량: 68.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 68.1077 Da
• Monoisotopic Mass: 68.1077 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 7.200
• Isotope Atom Count: 8
• 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