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1-Bromo-4-ethynylbenzene

CAS 766-96-1HC≡CC6H4BrChemical Synthesis

1-Bromo-4-ethynylbenzene (CAS 766-96-1), with the molecular formula HC≡CC6H4Br and a molar mass of 181.03 g/mol, is a valuable organic building block. This halogenated hydrocarbon features both an ethynyl and a bromo substituent on a benzene ring, making it a versatile intermediate in organic synthesis. It is primarily utilised in the construction of more complex organic molecules and in research and development settings.

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1-Bromo-4-ethynylbenzene (HC≡CC6H4Br) — chemical structure, CAS 766-96-1; Chemistry, fine chemical supplied by Tech Serve Solutions
AlkynylBuilding BlocksChemical SynthesisHalogenated HydrocarbonsOrganic Building Blocks
01 /Applications

Synthesis of Complex Organic Molecules

1-Bromo-4-ethynylbenzene serves as a key intermediate for constructing molecules with extended conjugated systems or specific functional group arrangements. Its reactivity allows for further elaboration via reactions involving either the alkyne or the aryl bromide moiety.

Pharmaceutical Intermediate

As an organic building block, this compound can be employed in the multi-step synthesis of potential pharmaceutical agents. Its structure can be incorporated into larger molecules investigated for biological activity.

Materials Science Research

The rigid, linear ethynyl group and the aryl bromide functionality make 1-Bromo-4-ethynylbenzene suitable for research into novel organic materials, such as those used in electronics or polymer science.

02 /Properties
Molecular weight181.03
Linear formulaHC≡CC6H4Br
Assay97%
Application1-Bromo-4-ethynylbenzene was used in the synthesis of 1-bromo-4-(4′-tetrahydropyranyloxy-1′-ethynylphenyl)benzene1.
Melting point64-67 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H319Causes serious eye irritation

Precautionary statements

  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Transport (UN / ADR)UN 3077 9 / PGIII
Water hazard class (WGK, DE)2
Hazard codes (EU)Xn,N
Risk statements (R)22-51/53
Safety statements (S)61

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
766-96-1
MDL number
MFCD00168822
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 1-Bromo-4-ethynylbenzene used for?

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1-Bromo-4-ethynylbenzene is used as an organic building block in chemical synthesis, particularly for creating more complex organic molecules. It has been documented in the synthesis of compounds like 1-bromo-4-(4′-tetrahydropyranyloxy-1′-ethynylphenyl)benzene.

What are the CAS number and molecular formula for 1-Bromo-4-ethynylbenzene?

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The CAS number for 1-Bromo-4-ethynylbenzene is 766-96-1, and its molecular formula is HC≡CC6H4Br.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 1-Bromo-4-ethynylbenzene with a minimum purity of 97%. This product is suitable for research and chemical synthesis and is not supplied as USP, BP, EP, or other pharmacopoeia grades.

How should 1-Bromo-4-ethynylbenzene be handled safely?

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1-Bromo-4-ethynylbenzene is classified with Warning signal word, and carries H302 (Harmful if swallowed) and H319 (Causes serious eye irritation) hazard statements. Appropriate personal protective equipment includes a dust mask type N95 (US), eyeshields, and gloves. Handle in a well-ventilated area and avoid contact with eyes, skin, and clothing.

How is 1-Bromo-4-ethynylbenzene shipped and exported?

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1-Bromo-4-ethynylbenzene is shipped and exported according to international regulations for hazardous materials, identified under UN 3077 with hazard class 9 and packing group III.

How can I request a quote or sample for 1-Bromo-4-ethynylbenzene?

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To request a quote or a sample of 1-Bromo-4-ethynylbenzene, please contact the Tech Serve Solutions sales team through our website or by phone, providing your contact details and the product's CAS number (766-96-1).

Need 1-Bromo-4-ethynylbenzene in a specific grade or volume?