Bromoform-13C

Base Information

• Chemical Name: Bromoform-13C
• CAS No.: 72802-81-4
• Molecular Formula: CHBr₃
• Molecular Weight: 253.72
• European Community (EC) Number: 685-811-3
• DSSTox Substance ID: DTXSID80486626
• Wikidata: Q82327884
• Mol file: 72802-81-4.mol

Synonyms:Bromoform-13C;72802-81-4;tribromo(113C)methane;Bromoform-13C1;Bromoform-(13-C);Methane-13C, tribromo-(9CI);DTXSID80486626;AKOS015913217;Bromoform-13C, >=99 atom % 13C, >=99% (CP), contains copper as stabilizer

Chemical Property of Bromoform-13C

Chemical Property:

• Melting Point: 5-8 °C(lit.)
• Refractive Index: n20/D 1.596(lit.)
• Boiling Point: 146-150 °C(lit.)
• PSA: 0.00000
• Density: 2.974 g/cm³
• LogP: 2.45470
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 252.76414
• Heavy Atom Count: 4
• Complexity: 8

Purity/Quality:

98% ^*data from raw suppliers

BROMOFORM-13C 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,N
• Statements: 23-36/38-51/53-22
• Safety Statements: 28-45-61-63

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(Br)(Br)Br
• Isomeric SMILES: [13CH](Br)(Br)Br

Technology Process of Bromoform-13C

There total 1 articles about Bromoform-13C which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ <13C>-Bromoform (72802-81-4)

Guidance literature:

¹³CBr3Li 1b, MeOH, -100grad;

Reference yield: 62.0%

<13C>-Bromoform (72802-81-4) + <1-13C>-2-Phenylaethen (61415-37-0) → <1,3-13C>-1,1-Dibrom-2-phenylcyclopropan

Guidance literature:

With sodium hydroxide; ethanol; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 3h; Heating;

DOI:10.1002/hlca.19830660128

Reference yield:

<13C>-Bromoform (72802-81-4) + 4-methoxy-benzaldehyde (123-11-5) → C8(13)CH9ClO + E-2'-bromo-4-methoxyphenyl-<2'-13C>ethene

Guidance literature:

With chromium dichloride; In tetrahydrofuran; Yield given. Yields of byproduct given; 1.) 0 deg C, 2 h, 2.) reflux, 30 min;

DOI:10.1016/0022-328X(89)87301-2