CAS No.496-67-3,Bromisoval Suppliers

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Basic Information

Molecular Structure:
CAS No.:	496-67-3
Name:	Bromisoval

Formula:	C₆H₁₁BrN₂O₂
Molecular Weight:	223.07
Synonyms:	Urea,(2-bromo-3-methylbutyryl)- (6CI,8CI);(RS)-2-Bromoisovalerylurea;(a-Bromoisovaleryl)urea;2-Bromo-3-methylbutyrylurea;2-Bromoisovalerylurea;Abroval;Alluval;Alural;BVU;Bromaral;Bromcarbamide;Bromisovalerylurea;Bromisovalum;Bromizoval;Bromocarbamide;Bromoisovalum;Bromovaleroylurea;Bromovalerylurea;Bromoxil;Bromuvan;Bromvalerylurea;Brovalin;Brovalurea;Calmotin;Dagrabromyl;Dormigene;Isobromyl;Pivadorm;Pivadorn;Upiol;a-Bromo-b-dimethylpropanoylurea;a-Bromoisovaleric acid ureide;a-Bromoisovaleroylurea;
EINECS:	207-825-7
Density:	1.504 g/cm³
Melting Point:	152 °C
Solubility:	19.03g/L(temperature not stated)
PSA:	72.19000
LogP:	1.69200

Synthetic route

: 27109-47-3, 27318-02-1, 66067-58-1, 52574-82-0
2-bromoisovaleryl chloride

: 57-13-6
urea

: 496-67-3
bromisoval

Conditions

Conditions	Yield
at 35 - 40℃; for 6h; Time;	86%

: 860762-74-9
N-(α-bromo-isovaleryl)-O-methyl-isourea

: 496-67-3
bromisoval

Conditions

Conditions	Yield
With hydrogenchloride

: O-ethyl-N-(α-bromo-isovaleryl)-isourea

: 496-67-3
bromisoval

Conditions

Conditions	Yield
With hydrogenchloride

: N,N'-bis-(α-bromo-isovaleryl)-urea

: 496-67-3
bromisoval

Conditions

Conditions	Yield
With sodium hydroxide

: 26464-05-1
2-bromo-3-methyl-butyryl bromide

: 57-13-6
urea

: 496-67-3
bromisoval

: N,N'-bis-(α-bromo-isovaleryl)-urea

diluted NaOH-solution: diluted NaOH-solution

: 496-67-3
bromisoval

: 26464-05-1
2-bromo-3-methyl-butyryl bromide

mercurocyanate: mercurocyanate

: 496-67-3
bromisoval

Conditions

Conditions	Yield
With Petroleum ether und Behandeln des entstandenen <α-Brom-isovaleryl>-isocyanats mit Ammoniak;

: 7647-01-0
hydrogenchloride

: 860762-74-9
N-(α-bromo-isovaleryl)-O-methyl-isourea

A: 74-87-3
methylene chloride

B: 496-67-3
bromisoval

...Expand

: 7647-01-0
hydrogenchloride

: O-ethyl-N-(α-bromo-isovaleryl)-isourea

A: 496-67-3
bromisoval

B: 75-00-3
chloroethane

...Expand

: 26464-05-1
2-bromo-3-methyl-butyryl bromide

: 496-67-3
bromisoval

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: water; benzene; NaOH-solution 2: hydrochloric acid View Scheme
Multi-step reaction with 2 steps 1: diethyl ether 2: hydrochloric acid View Scheme

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Chemistry

IUPAC Name: Bromisoval [INN]
The MF of Bromisoval [INN] (496-67-3) is C₆H₁₁BrN2O₂.

The MW of Bromisoval [INN] (496-67-3) is 223.07.
Synonyms of Bromisoval [INN] (496-67-3): Rarechem ax ki 5046 ; 1-(2-Bromoisovaleryl)urea ; A-(Bromoisovaleryl)urea ; Alpha(bromoisovaleryl)urea ; Labotest-bb lt00134620 ; Bromovalerylurea ; Bromoisovalerylurea ; Bromo-iso-valerylurea (alpha)
Index of Refraction: 1.514
EINECS: 207-825-7
Density: 1.504 g/ml
Melting point: 152 °C
Merck: 1397

Uses

Bromisoval [INN] (496-67-3) has a mild sedative and hypnotic effects, serving markedly after 5 minutes.Eeffect last for 4 hours, no habit.Can be made into powder, tablets and injections.

Production

With isoamyl alcohol as raw material, the first oxidation of isovalerate, and then brominated to α-bromo-isovaleryl bromide and finally generate the bromine and urea condensation of iso-amyl urea.

Toxicity Data With Reference

1.	orl-wmn TDLo:400 mg/kg:CNS	BMJOAE British Medical Journal. 1 (1955),1238.
2.	orl-hmn LDLo:57 mg/kg	TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. 7 (1960),513.
3.	orl-rat LD50:1000 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 7 (1948),262.
4.	orl-mus LD50:2 g/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 11 (1976),693.
5.	orl-cat LD50:450 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),738.
6.	orl-rbt LD50:1200 mg/kg	MEIEDD Merck Index. 10 (1983),193.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Human systemic effects by ingestion: nausea or vomiting, and coma. A sedative and hypnotic agent. When heated to decomposition it emits very toxic fumes of Br⁻ and NO_x.Safety information of Bromisoval [INN] (496-67-3):
RTECS YS3150000