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Chloral Betaine

Chloral Betaine structure

CAS No:
2218-68-0
Formula:
C5H11NO2.C2H3Cl3O2
Chemical Name:
Chloral Betaine
Synonyms:
Methanaminium,1-carboxy-N,N,N-trimethyl-,inner salt,compd. with 2,2,2-trichloro-1,1-ethanediol (1:1);Betaine,compd. with chloral hydrate (1:1);Methanaminium,1-carboxy-N,N,N-trimethyl-,hydroxide,inner salt,compd. with 2,2,2-trichloro-1,1-ethanediol (1:1);Chloral hydrate,compd. with betaine (1:1);1,1-Ethanediol,2,2,2-trichloro-,compd. with 1-carboxy-N,N,N-trimethylmethanaminium inner salt (1:1);Beta-chlor;Chloral hydrate-betaine adduct;Chloral Betaine;Cloral betaine;β-Chlor;Somilan;Somnalchlor
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Chloral betaine is a DEA Schedule IV controlled substance. Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III.

Chloral Betaine Basic Attributes

Molecular Weight：

282.54900

Exact Mass：

280.99900

EC Number：

218-722-1

UNII：

8680278NRH

DEA Code Number：

2460

DSSTox ID：

DTXSID20176716

Characteristics

PSA：

80.59000

Melting Point：

122.5-124.5 °C

Toxicity：

LD50 oral in mouse: 800mg/kg

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

DEA Controlled Substances：

Chloral betaine|Beta Chlor|2460|Schedule IV - Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III.|No

Chloral Betaine Use and Manufacturing

Sedative-hypnotic.

Computed Properties

Molecular Weight:282.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:280.998841
Monoisotopic Mass:280.998841
Topological Polar Surface Area:80.6
Heavy Atom Count:15
Complexity:144
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes