n-Butyl bromide - ≥99%(GC) , CAS No.109-65-9

CAS: 109-65-9 Cat. No.: B105252 분자식: C₄H₉Br 분자량: 137.02 Beilstein Registry Number: 1098260 EC 번호: 203-691-9

GRADE & PURITY ≥99%(GC)

Synonyms

AI3-15308 | 1-Butyl bromide | BBU | A802070 | JC10149 | SCHEMBL8141 | 4-bromobutane | 4-bromo-butane | FT-0663658 | n-butyl-bromide | 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE | EN300-19285 | N-BUTYL BROMIDE [HSDB] | 1-Bromob

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

개요

1-Bromobutane, an alkyl halide, is an alkylating agent. Its rotational constants, nuclear quadrupole constants and centrifugal distortion constants have been stated based on microwave spectral data. The rate coefficient for the reaction of 1-bromobutane with hydrogen atoms has been reported to be 2.4±1.2x1010cm3mol-1s-1.

Specifications

동의어

AI3-15308 | 1-Butyl bromide | BBU | A802070 | JC10149 | SCHEMBL8141 | 4-bromobutane | 4-bromo-butane | FT-0663658 | n-butyl-bromide | 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE | EN300-19285 | N-BUTYL BROMIDE [HSDB] | 1-Bromob

사양 및 순도

≥99%(GC)

보관 조건

Protected from light,Room temperature

배송

FedEx DG Service

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

504751539

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751539

정식 스마일

CCCCBr

IUPAC Name

1-bromobutane

InChIKey

MPPPKRYCTPRNTB-UHFFFAOYSA-N

INCHI

1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3

이성체 SMILES

CCCCBr

WGK 독일

2

RTECS

EJ6225000

UN 번호

1126

포장 그룹

II

분자량

137.02

Beilstein

1098260

Reaxy-Rn

1098260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098260&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with ethanol and diethyl ether. Immiscible with water.
• 감도: Light sensitive.
• 굴절률: 1.4398
• 발화점(°F): 50.0 °F
• 발화점(°C): 10℃
• 끓는점(°C): 101.6°C
• 녹는점(°C): -112.4°C
• 분자량: 137.020 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 135.989 Da
• Monoisotopic Mass: 135.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• 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