Propargyl bromide - ≥98%, contains 0.3 % MgO as stabilizer , CAS No.106-96-7

CAS: 106-96-7 Cat. No.: P106961 분자식: C₃H₃Br 분자량: 118.96 Beilstein Registry Number: 605309 EC 번호: 203-447-1

GRADE & PURITY ≥98%, contains 0.3 % MgO as stabilizer

Synonyms

3-Bromo-1-propyne

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

동의어

3-Bromo-1-propyne

사양 및 순도

≥98%, contains 0.3 % MgO as stabilizer

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥98%

이름과 식별자

Pubchem Sid

508814530

정식 스마일

C#CCBr

IUPAC Name

3-bromoprop-1-yne

InChIKey

YORCIIVHUBAYBQ-UHFFFAOYSA-N

INCHI

1S/C3H3Br/c1-2-3-4/h1H,3H2

이성체 SMILES

C#CCBr

WGK 독일

2

RTECS

UK4375000

UN 번호

2345

포장 그룹

II

분자량

118.96

Beilstein

605309

Reaxy-Rn

605309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• 분류: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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: Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water.
• 감도: air ＆heat ＆light sensitive
• 굴절률: 1.4922
• 발화점(°C): 10℃
• 끓는점(°C): 88-90°C
• 녹는점(°C): -61 °C
• 분자량: 118.960 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 117.942 Da
• Monoisotopic Mass: 117.942 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 38.500
• 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