2-Bromopropane - ≥99% , CAS No.75-26-3

CAS: 75-26-3 Cat. No.: B109115 분자식: C₃H₇Br 분자량: 122.99 Beilstein Registry Number: 741852 EC 번호: 200-855-1

등급 & 순도 ≥99%

Synonyms

1-isopropylbromide|2-Bromopropane [UN2344] [Flammable liquid]|Isopropylbromide|iso-propylbromide|2-Bromopropane|2-BROMO-PROPANE|2-propyl bromide|ISOPROPYL BROMIDE|iso-propyl bromide|i-propyl bromide|Propane, 2-bromo-|1-bromo-1-methylethane|2-Bromopropane-d6|ISOPROPYL BROMIDE [MI]|i-PrBr|sec-Propyl bromide|i-propylbromide

Storage

Room temperature

Shipped In

FedEx DG Service

개요

2-Bromopropane is a general reagent used to introduce isopropyl group as in the case of the synthesis of various Buchwald ligands. It can also be used as a starting material in the total synthesis of lamellarin D, lamellarin H, ningalin B and (±)-dichroanal.

사양

동의어

1-isopropylbromide | 2-Bromopropane [UN2344] [Flammable liquid] | Isopropylbromide | iso-propylbromide | 2-Bromopropane | 2-BROMO-PROPANE | 2-propyl bromide | ISOPROPYL BROMIDE | iso-propyl bromide | i-propyl bromide | Propane, 2-bromo- | 1-bromo-1-methylethane | 2-Bromopropane-d6 | ISOPROPYL BROMIDE [MI] | i-PrBr | sec-Propyl bromide | Show more

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

504751071

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751071

정식 스마일

CC(C)Br

IUPAC Name

2-bromopropane

InChIKey

NAMYKGVDVNBCFQ-UHFFFAOYSA-N

INCHI

1S/C3H7Br/c1-3(2)4/h3H,1-2H3

이성체 SMILES

CC(C)Br

WGK 독일

1

RTECS

TX4111000

UN 번호

2344

분자량

122.99

Beilstein

741852

Reaxy-Rn

741852

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741852&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

관련 대상(인간)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with alcohol, benzene, chloroform and ether. Slightly miscible with water and acetone.
• 굴절률: 1.4251
• 발화점(°F): 66.2 °F
• 발화점(°C): 19℃
• 끓는점(°C): 59.38°C
• 녹는점(°C): -89°C
• 분자량: 122.990 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 121.973 Da
• Monoisotopic Mass: 121.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• 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