Benz(aldehyde-D)-carbonyl-13C

Base Information

Chemical Name:Benz(aldehyde-D)-carbonyl-13C
CAS No.:155638-70-3
Molecular Formula:C7H5 D O
Molecular Weight:108.105
Hs Code.:
European Community (EC) Number:693-250-0
DSSTox Substance ID:DTXSID40584016
Wikidata:Q82475641
Mol file:155638-70-3.mol

Synonyms:155638-70-3;BENZ(ALDEHYDE-D)-CARBONYL-13C;Deuterio(phenyl)(113C)methanone;Benzaldehyde-(carbonyl-13C,D);Benzaldehyde-alpha-13C,alpha-d1;DTXSID40584016;Benzaldehyde- alpha -13C, alpha -d1;(formyl-~13~C,formyl-~2~H)Benzaldehyde;J-009213;Benzaldehyde-alpha-13C,alpha-d1, 99 atom % 13C, 99 atom % D

Suppliers and Price of Benz(aldehyde-D)-carbonyl-13C

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
Benzaldehyde-α-13C,α-d1 99 atom %
250mg
$ 394.00

American Custom Chemicals Corporation
BENZALDEHYDE-ALPHA-13C,ALPHA-D1 95.00%
250MG
$ 885.31

Total 1 raw suppliers

Chemical Property of Benz(aldehyde-D)-carbonyl-13C

Chemical Property:

Melting Point:−26 °C(lit.)
Refractive Index:n20/D 1.545(lit.)
Boiling Point:178-179 °C(lit.)
Flash Point:145 °F
PSA：17.07000
Density:1.065 g/mL at 25 °C
LogP:1.49910
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:108.051496392
Heavy Atom Count:8
Complexity:72.5

Purity/Quality:

99% ^*data from raw suppliers

Benzaldehyde-α-13C,α-d1 99 atom % ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-36/37/38-40-42/43
Safety Statements: 26-36-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=O
Isomeric SMILES:[2H][13C](=O)C1=CC=CC=C1

Technology Process of Benz(aldehyde-D)-carbonyl-13C

There total 6 articles about Benz(aldehyde-D)-carbonyl-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:

: C₆⁽¹³⁾CH₆⁽²⁾H₂O

: 155638-70-3
13C,²H>benzaldehyde

Guidance literature:: With MnO₄;
DOI:10.1039/b303542p

Reference yield:

: 10383-90-1
⁽¹³⁾C-benzaldehyde

: 155638-70-3
13C,²H>benzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: LiAlD₄

2: MnO₄

With lithium aluminium deuteride;
DOI:10.1039/b303542p

Reference yield:

: 591-50-4
iodobenzene

: 1641-69-6
[13C]Carbon monoxide

: 155638-70-3
13C,²H>benzaldehyde

Guidance literature:: With rhodium(III) chloride trihydrate; triethylamine; triphenylphosphine; deuterium; In N,N-dimethyl acetamide; at 90 ℃; for 12h; Autoclave;
DOI:10.3762/bjoc.16.61