Chloro(113C)methylbenzene

Base Information Edit

Chemical Name:Chloro(113C)methylbenzene
CAS No.:57742-41-3
Molecular Formula:C7H7Cl
Molecular Weight:127.575
Hs Code.:
European Community (EC) Number:687-221-1
DSSTox Substance ID:DTXSID00514692
Nikkaji Number:J308.871E
Wikidata:Q82375176
Mol file:57742-41-3.mol

Synonyms:57742-41-3;Chloro(113C)methylbenzene;BENZYL-ALPHA-13C CHLORIDE;BENZYL-ALPHA-13CCHLORIDE;SCHEMBL1331085;[Chloro(~13~C)methyl]benzene;DTXSID00514692;AKOS015913400;Benzyl chloride-alpha-13C, 99 atom % 13C

Suppliers and Price of Chloro(113C)methylbenzene

Supply Marketing:Edit

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
Benzyl chloride-α-13C 99 atom %
1g
$ 1310.00

American Custom Chemicals Corporation
BENZYL CHLORIDE-ALPHA-13C 95.00%
1G
$ 1703.92

Total 2 raw suppliers

Chemical Property of Chloro(113C)methylbenzene Edit

Chemical Property:

Melting Point:−43 °C(lit.)
Refractive Index:n20/D 1.538(lit.)
Boiling Point:177-181 °C(lit.)
Flash Point:165 °F
PSA：0.00000
Density:1.109 g/mL at 25 °C
LogP:2.42540
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:127.0269828
Heavy Atom Count:8
Complexity:55.4

Purity/Quality:

99% ^*data from raw suppliers

Benzyl chloride-α-13C 99 atom % ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 22-23-37/38-40-41-48/22-45
Safety Statements: 36/37-38-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCl
Isomeric SMILES:C1=CC=C(C=C1)[13CH2]Cl

Technology Process of Chloro(113C)methylbenzene

There total 4 articles about Chloro(113C)methylbenzene 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: 100.0%

: 54522-91-7
[α-13C]-benzyl alcohol

: 57742-41-3
<α-¹³C>Benzylchlorid

Guidance literature:: With pyridine; thionyl chloride; In diethyl ether; for 2h; Reflux; Glovebox;
DOI:10.1002/ejic.201301317

Reference yield:

: 3880-99-7
1-(13C)benzoic acid

: 57742-41-3
<α-¹³C>Benzylchlorid

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / diethyl ether; methanol; H₂O

2: 96 percent / LiAlH₄ / diethyl ether / 2 h / Heating

3: 65 percent / SOCl₂ / 2 h / Heating

With lithium aluminium tetrahydride; thionyl chloride; In methanol; diethyl ether; water;

Reference yield:

: 36712-21-7
methyl [carboxyl-¹³C]benzoate

: 57742-41-3
<α-¹³C>Benzylchlorid

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / LiAlH₄ / diethyl ether / 2 h / Heating

2: 65 percent / SOCl₂ / 2 h / Heating

With lithium aluminium tetrahydride; thionyl chloride; In diethyl ether;