Butyl Nitrite - ≥90%(GC) , CAS No.544-16-1

CAS: 544-16-1 Cat. No.: B134686 분자식: C₄H₉NO₂ 분자량: 103.12 Beilstein Registry Number: 1369 EC 번호: 208-862-1

등급 & 순도 ≥90%(GC)

Synonyms

InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3 | NCI-C56553 | LS-13006 | Butyl nitrite | NBN | Tox21_202927 | N0376 | BP-20316 | Butyl nitrite(Technical) | CCRIS 838 | NSC 8426 | AMY4016 | CHEBI:173360 | DTXCID7029378 | SCHEMBL166345 | 44P8QG0F3T | AKOS0159953

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

개요

The photodissociation dynamics of butyl nitrite was studied using time-resolved Fourier transform infrared (TR-FTIR) emission spectroscopy. The effects of butyl nitrite on methyl cobalamin and 5-methyl tetrahydrofolate were studied.

사양

동의어

InChI=1/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3 | NCI-C56553 | LS-13006 | Butyl nitrite | NBN | Tox21_202927 | N0376 | BP-20316 | Butyl nitrite(Technical) | CCRIS 838 | NSC 8426 | AMY4016 | CHEBI:173360 | DTXCID7029378 | SCHEMBL166345 | 44P8QG0F3T | AKOS0159953

사양 및 순도

≥90%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥90%(GC)

이름과 식별자

Pubchem Sid

504752046

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752046

정식 스마일

CCCCON=O

IUPAC Name

butyl nitrite

InChIKey

JQJPBYFTQAANLE-UHFFFAOYSA-N

INCHI

1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3

이성체 SMILES

CCCCON=O

WGK 독일

1

RTECS

RA0780000

UN 번호

2351

포장 그룹

I

분자량

103.12

Beilstein

1369

Reaxy-Rn

1701036

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701036&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic O-nitroso compounds
• Alternative Parents: Alkyl nitrites Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic o-nitroso compound - Alkyl nitrite - Organic nitrite - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organic o-nitroso compounds. These are organic compounds containing a n-nitroso group -ON=O.
• 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: Slightly soluble in water
• 감도: light sensitive；heat sensitive；air sensitive
• 굴절률: 1.376
• 발화점(°C): -13 °C
• 끓는점(°C): 78 °C
• 분자량: 103.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 47.000
• 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: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥90% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 544-16-1, the molecular formula is C4H9NO2, and the molecular weight is 103.12 g/mol. InChIKey JQJPBYFTQAANLE-UHFFFAOYSA-N.

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.