Benzobarbital

Base Information

Chemical Name:Benzobarbital
CAS No.:744-80-9
Molecular Formula:C19H16 N2 O4
Molecular Weight:336.347
Hs Code.:2933540000
UNII:YNJ78BD0AH
DSSTox Substance ID:DTXSID1046138
Nikkaji Number:J6.961B
Wikipedia:Benzobarbital
Wikidata:Q4083796
NCI Thesaurus Code:C77628
ChEMBL ID:CHEMBL1338506
Mol file:744-80-9.mol

Synonyms:Barbituricacid, 1-benzoyl-5-ethyl-5-phenyl- (6CI,7CI,8CI);1-Benzoyl-5-ethyl-5-phenylbarbituric acid; 1-Benzoyl-5-phenyl-5-ethylbarbituricacid; Benzobarbital; Benzonal; Benzoylluminal

Suppliers and Price of Benzobarbital

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

AHH
Benzobarbital 98%
25g
$ 830.00

AK Scientific
Benzobarbital
100mg
$ 38.00

American Custom Chemicals Corporation
BENZOBARBITONE 95.00%
10G
$ 1455.30

Biosynth Carbosynth
Benzobarbital
5 mg
$ 75.00

Biosynth Carbosynth
Benzobarbital
10 mg
$ 120.00

Biosynth Carbosynth
Benzobarbital
25 mg
$ 250.00

Biosynth Carbosynth
Benzobarbital
50 mg
$ 400.00

Biosynth Carbosynth
Benzobarbital
100 mg
$ 600.00

TRC
Benzobarbital
250mg
$ 100.00

Total 79 raw suppliers

Chemical Property of Benzobarbital

Chemical Property:

Melting Point:134-137
Refractive Index:1.5700 (estimate)
Boiling Point:472.83°C (rough estimate)
PKA:6.41±0.10(Predicted)
PSA：83.55000
Density:1.292g/cm3
LogP:2.51990
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:336.11100700
Heavy Atom Count:25
Complexity:576

Purity/Quality:

99% ^*data from raw suppliers

Benzobarbital 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Uses is used in preparation method and composition for treating epilepsy including administering a Cholecystokinin-2 receptor antagonist and combination with antiepileptic agents.

Technology Process of Benzobarbital

There total 2 articles about Benzobarbital 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: 60.0%