CAS No.76-75-5,(+/-)-THIOPENTAL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76-75-5
Name:	(+/-)-THIOPENTAL
Article Data:	12

Formula:	C11H18 N2 O2 S
Molecular Weight:	242.342
Synonyms:	Barbituricacid, 5-ethyl-5-(1-methylbutyl)-2-thio- (8CI); (?à)-Thiopental; 2-Thio-5-ethyl-5-sec-pentylbarbituricacid; 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid; Intraval;Penthiobarbital; Pentothiobarbital; Thiomebumal; Thionembutal; Thiopental;Thiopentobarbital; Thiopentobarbitone; Thiopentobarbituric acid; Thiopentone;Thiothal
Density:	1.16g/cm³
Melting Point:	158-160°C
Flash Point:	11℃
Solubility:	50mg/L(25 oC)
Appearance:	Off-White Solid
Hazard Symbols:	Xn,T,F
Risk Codes:	22-39/23/24/25-23/24/25-11
Safety:	Poison by intraperitoneal, intravenous, and rectal routes. Moderately toxic by ingestion. An experimental teratogen. Human mutation data reported. A short-acting intravenous anesthetic. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also PENTOTHAL SODIUM and BARBITURATES.
PSA:	90.29000
LogP:	2.00750

Synthetic route

: 57-33-0
nembutal

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Stage #1: nembutal With hydrogenchloride In dichloromethane at 20℃; for 0.166667h; Stage #2: With Lawessons reagent; methoxybenzene for 150h; Reflux;	20%

: 91334-59-7
5-ethyl-6-amino-5-(1-methyl-butyl)-2-thioxo-3,5-dihydro-2H-pyrimidin-4-one

: 76-75-5
thiopentone

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid

: 76-74-4
pentobarbital

A: 76-75-5
thiopentone

B: 134302-74-2
5-ethyl-5-(1-methylbutyl)-2,4-dithiobarbitursaeure

Conditions

Conditions	Yield
With P4S10*4Py In chlorobenzene for 1h; Heating; Yield given. Yields of byproduct given;

(+-)-5-ethyl-5-<1-methyl-butyl>-barbituric acid: (+-)-5-ethyl-5-<1-methyl-butyl>-barbituric acid

: 76-75-5
thiopentone

Conditions

Conditions	Yield
With tetraphosphorus decasulfide; potassium polysulfide; xylene

: 17356-08-0
thiourea

(+-)-ethyl-<1-methyl-butyl>-malonic acid diethyl ester: (+-)-ethyl-<1-methyl-butyl>-malonic acid diethyl ester

: 76-75-5
thiopentone

Conditions

Conditions	Yield
With sodium ethanolate

: 107-81-3
2-bromopentane

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme
Multi-step reaction with 4 steps 1: sodium ethylate; ethanol 2: sodium ethylate; ethanol 4: aqueous H2SO4 View Scheme

: 100400-64-4
2-ethyl-2-cyano-3-methyl-hexanoic acid methyl ester

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: aqueous H2SO4 View Scheme

: 19823-28-0
2-cyano-3-methyl-hexanoic acid ethyl ester

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme

: 100453-11-0
2-ethyl-2-cyano-3-methyl-hexanoic acid ethyl ester

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: aqueous H2SO4 View Scheme

: 1619-58-5
2-cyano-butyric acid ethyl ester

: 76-75-5
thiopentone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme

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Chemistry

MF: C₁₁H₁₈N₂O₂S
MW: 242.34
EINECS: 200-984-3
PENTOTHAL,it's melting point is 158-160°C,It's appearance is Off-White Solid.
Following is the molecular structure of PENTOTHAL:

Toxicity Data With Reference

1.	cyt-hmn:leu 1500 mg/L	TGANAK Tsitologiya i Genetika. 18 (1)(1984),13.
2.	ipr-rat LD50:120 mg/kg	27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965,260.
3.	ivn-rat LD50:64 mg/kg	PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 89 (1955),292.
4.	orl-mus LD50:600 mg/kg	BJPCAL British Journal of Pharmacology and Chemotherapy. 1 (1946),215.
5.	ipr-mus LD50:110 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 128 (1960),391.
6.	ivn-mus LD50:70 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),441.
7.	orl-rbt LDLo:600 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),189.
8.	rec-rbt LDLo:110 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),189.

RTECS : CQ6300000

Safety Profile

Poison by intraperitoneal, intravenous, and rectal routes. Moderately toxic by ingestion. An experimental teratogen. Human mutation data reported. A short-acting intravenous anesthetic. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also PENTOTHAL SODIUM and BARBITURATES.

Hazard Codes : Xn (Harmful)
Risk Statements :22 (Harmful if swallowed)
Safety Statements :36/37/39 (Wear suitable protective clothing, gloves and eye/face protection)
RIDADR : UN 1230 3/PG 2