6-(Chloromethyl)benzo(a)pyrene

Base Information

Chemical Name:6-(Chloromethyl)benzo(a)pyrene
CAS No.:49852-84-8
Molecular Formula:C21H13Cl
Molecular Weight:300.79
Hs Code.:
UNII:A5LE8GJ6VM
DSSTox Substance ID:DTXSID001032363
Wikidata:Q82898666
Mol file:49852-84-8.mol

Synonyms:6-(chloromethyl)benzo(a)pyrene

Suppliers and Price of 6-(Chloromethyl)benzo(a)pyrene

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

American Custom Chemicals Corporation
6-CHLOROMETHYLBENZO(A)PYRENE 95.00%
5MG
$ 496.52

Total 3 raw suppliers

Chemical Property of 6-(Chloromethyl)benzo(a)pyrene

Chemical Property:

Vapor Pressure:1.81E-10mmHg at 25°C
Refractive Index:1.6281 (estimate)
Boiling Point:521.9°Cat760mmHg
Flash Point:243.6°C
PSA：0.00000
Density:1.344g/cm³
LogP:6.47600
XLogP3:6.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:300.0705781
Heavy Atom Count:22
Complexity:418

Purity/Quality:

99% ^*data from raw suppliers

6-CHLOROMETHYLBENZO(A)PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C3=C4C(=C2CCl)C=CC5=CC=CC(=C54)C=C3

Technology Process of 6-(Chloromethyl)benzo(a)pyrene

There total 4 articles about 6-(Chloromethyl)benzo(a)pyrene 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:

: 21247-98-3
6-(hydroxymethyl)benzo pyrene

: 49852-84-8
6-Chlormethyl-¹³C-benzo pyren

Guidance literature:: With thionyl chloride; In benzene;
DOI:10.1021/jm00264a034

Reference yield:

: 50-32-8,42299-33-2,34505-58-3
benzo pyrene

: 49852-84-8
6-Chlormethyl-¹³C-benzo pyren

Guidance literature:: Multi-step reaction with 3 steps

1: POCl₃

2: NaBH₄ / ethanol

3: SOCl₂ / benzene

With sodium tetrahydroborate; thionyl chloride; trichlorophosphate; In ethanol; benzene;
DOI:10.1021/jm00264a034

Reference yield:

: 13312-42-0
benz pyrene-6-carbaldehyde

: 49852-84-8
6-Chlormethyl-¹³C-benzo pyren

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / ethanol

2: SOCl₂ / benzene

With sodium tetrahydroborate; thionyl chloride; In ethanol; benzene;
DOI:10.1021/jm00264a034