2-Butanol - Ultra dry,≥99.5%,water≤50 ppm , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B1521118 분자식: C₄H₁₀O 분자량: 74.12 Beilstein Registry Number: 773649 EC 번호: 201-158-5

등급 & 순도 Ultra dry, ≥99.5%, water≤50 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

사양

사양 및 순도

Ultra dry,≥99.5%,water≤50 ppm

보관 조건

Room temperature

배송

FedEx DG Service

등급

Ultra dry

순수함

≥99.5%

이름과 식별자

정식 스마일

CCC(C)O

IUPAC Name

butan-2-ol

InChIKey

BTANRVKWQNVYAZ-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

이성체 SMILES

CCC(C)O

WGK 독일

1

RTECS

EO1750000

UN 번호

1120

포장 그룹

III

분자량

74.12

Beilstein

773649

Reaxy-Rn

773649

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773649&ln=

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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: a small molecule

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: Hygroscopic
• 굴절률: 1.397
• 발화점(°F): 78.8℉
• 발화점(°C): 26℃
• 끓는점(°C): 98°C
• 녹는점(°C): -115°C
• 분자량: 74.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1