Sodium tert-butoxide solution - 2 M in THF , CAS No.865-48-5

CAS: 865-48-5 Cat. No.: S140748 분자식: C₄H₉NaO 분자량: 96.1 EC 번호: 212-741-9 PubChem CID: 23676156

GRADE & PURITY 2 M in THF

Synonyms

2-Propanol, 2-methyl-, sodium salt (1:1) | EC 212-741-9 | t-butoxysodium | (tert-butoxy)sodium | tertiary butoxy sodium | SH-003 | sodium tbutoxide | sodium t-butoxide | Sodium tert-butoxide, 97% | tert-butyl 4-formylpiperidine-1-carboxylate;N-BOC-PIPERID

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

2-Propanol, 2-methyl-, sodium salt (1:1) | EC 212-741-9 | t-butoxysodium | (tert-butoxy)sodium | tertiary butoxy sodium | SH-003 | sodium tbutoxide | sodium t-butoxide | Sodium tert-butoxide, 97% | tert-butyl 4-formylpiperidine-1-carboxylate;N-BOC-PIPERID

사양 및 순도

2 M in THF

보관 조건

Room temperature,Argon charged

배송

Normal

이름과 식별자

Pubchem Sid

528770648

정식 스마일

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

IUPAC Name

sodium;2-methylpropan-2-olate

InChIKey

MFRIHAYPQRLWNB-UHFFFAOYSA-N

INCHI

1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1

이성체 SMILES

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

WGK 독일

3

PubChem CID

23676156

분자량

96.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • 분류 Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• 분류: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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: Moisture sensitive；Air sensitive
• 굴절률: 1.413
• 발화점(°F): 57.2 °F
• 발화점(°C): 14 °C
• 녹는점(°C): 270 °C
• 분자량: 96.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0551 Da
• Monoisotopic Mass: 96.0551 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.000
• Isotope Atom Count: 0
• 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

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