Carbromal

Base Information

• Chemical Name: Carbromal
• CAS No.: 77-65-6
• Molecular Formula: C7H13 Br N2 O2
• Molecular Weight: 237.096
• Hs Code.: 2924210090
• European Community (EC) Number: 201-046-6
• NSC Number: 49191,9916
• UNII: 0Y299JY9V3
• DSSTox Substance ID: DTXSID8020252
• Nikkaji Number: J4.210B
• Wikipedia: Carbromal
• Wikidata: Q382185
• NCI Thesaurus Code: C76936
• Metabolomics Workbench ID: 154595
• ChEMBL ID: CHEMBL1697828
• Mol file: 77-65-6.mol

Synonyms:carbromal

Chemical Property of Carbromal

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 118 C
• Refractive Index: 1.5140 (estimate)
• PSA: 72.19000
• Density: 1.445g/cm³
• LogP: 2.22620
• Water Solubility.: 0.5g/L(20 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.01604
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

(2-BROMO-2-ETHYLBUTYRYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(=O)NC(=O)N)Br
• Therapeutic Function: Hypnotic, Sedative

Technology Process of Carbromal

There total 20 articles about Carbromal 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:

cyanic acid (420-05-3) → carbromal (77-65-6)

Guidance literature:

With tetrachloromethane; at 100 ℃;

Reference yield:

→ carbromal (77-65-6)

Guidance literature:

With ammonia;

Reference yield:

→ carbromal (77-65-6)

Guidance literature:

With ammonia;

upstream raw materials:

methanol

N,N'-bis-(2-ethyl-2-bromo-butyryl)-urea

N-carbamoyl-2-ethylbutyraldehyde

2-ethyl-butyryl isocyanate

Downstream raw materials:

acetylcarbromal

(2-ethyl-crotonoyl)-urea

N,N'-bis-(2-ethyl-2-hydroxy-butyryl)-urea

N-carbamoyl-2-ethylbutyraldehyde