CAS No.79-19-6,thiosemicarbazide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79-19-6
Name:	thiosemicarbazide
Article Data:	63

Formula:	CH₅N₃S
Molecular Weight:	91.1368
Synonyms:	1-Aminothiourea;aminothiourea hydrochloride;Isothiosemicarbazide (VAN);Hydrazinecarbothioamide, monohydrochloride;Thiocarbamylhydrazine;1-Amino-2-thiourea;3-Thiosemicarbazide;2-Thiosemicarbazide;Hydrazinecarbothioamide;Semicarbazide, 3-thio-;Semicarbazide, thio-;Semicarbazide, thio-, monohydrochloride;Thiocarbamoylhydrazine;aminothiourea;Aminothio-urea;USAF EK-1275;Isothiosemicarbazide;Thiosemicarbazide;
EINECS:	201-184-7
Density:	1.376 g/cm³
Melting Point:	180-183 °C (dec.)(lit.)
Boiling Point:	208.6 °C at 760 mmHg
Flash Point:	80 °C
Solubility:	soluble in water
Appearance:	white crystalline solid
Hazard Symbols:	T+
Risk Codes:	28-52/53-26/27/28
Safety:	22-26-36/37-45-61-28A-36/37/39
Transport Information:	UN 2811 6.1/PG 2
PSA:	96.16000
LogP:	0.48480

Synthetic route

: 6938-68-7
2-methyl-thiosemicarbazide

: 874-42-0
2,4-dichlorobenzaldeyhde

: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
In ethanol	95.3%

: 137768-73-1
1-isothiocyanatopropa-1,2-diene

A: 1416132-20-1
1-amino-5-methylimidazole-2(3H)-thione

B: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With hydrazine hydrate In methanol at 0 - 20℃; for 24h; Reagent/catalyst;	A 21% B 77%

: phenylmagnesium bromide

: 33186-00-4
6-p-chlorostyryl-3-thioxo-1,2,4-triazin-5-one

A: 33185-98-7
C11H10ClN3O2S

B: 91732-86-4
6-p-chlorostyryl-5-phenyl-1,2,4-triazine-3-thione

C: 91732-87-5
C17H14ClN3OS

D: 91732-89-7
6-p-chlorostyryl-5,5-diphenyl-1,2,4-triazine-3-thione

E: 91732-88-6
C23H20ClN3OS

F: 79-19-6
thiosemicarbazide

G sulphur: sulphur

Conditions

Conditions	Yield
In diethyl ether; benzene for 5h; Product distribution; Mechanism; Heating;	A 8% B 12% C 5% D 5% E 8% F 10% G n/a

...Expand

: 625-57-0
O-ethyl thiocarbamate

: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With ethanol; hydrazine hydrate

: 333-20-0
potassium thioacyanate

: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With water; hydrazinium sulfate zuletzt in Aethylenglykol-methylaether oder -aethylaether bei 130grad;
With water; hydrazinium sulfate
With water; potassium carbonate; hydrazinium sulfate Ueber mehrere Stufen;
With hydrazinium sulfate

: 333-20-0
potassium thioacyanate

A: 142-46-1
bithiourea

B: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With water; hydrazinium sulfate

: 1147550-11-5
ammonium thiocyanate

: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With hydrazine hydrate at 130℃;

: 513-74-6
ammonium dithiocarbamate

: 79-19-6
thiosemicarbazide

Conditions

Conditions	Yield
With water; hydrazine

: 100-63-0
phenylhydrazine

: 108-88-3
toluene

: 1752-30-3
Acetone thiosemicarbazone

A: 79-19-6
thiosemicarbazide

B: 103-02-6
acetone phenylhydrazone

Conditions

Conditions	Yield
at 135℃;

...Expand

: 2302-93-4
acetophenonethiosemicarbazone

: 100-63-0
phenylhydrazine

: 108-88-3
toluene

A: 79-19-6
thiosemicarbazide

B: 583-11-9, 59130-82-4
N-(1-phenylethylidene)phenylhydrazine

Conditions

Conditions	Yield
at 135℃;

...Expand

Raw Materials

7732-18-5

1752-40-5

625-57-0

333-20-0

Downstream Products

55-21-0

Total:175 Page 1 of 5 1 2 3 4 5 Next>>

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Chemistry

Structure of Thiosemicarbazide (CAS NO.79-19-6):

IUPAC Name: aminothiourea
Empirical Formula: CH₅N₃S
Molecular Weight: 91.1355
EINECS: 201-184-7
Index of Refraction: 1.666
Molar Refractivity: 24.63 cm³
Molar Volume: 66.2 cm³
Polarizability: 9.76× 10^-24cm³
Surface Tension: 91 dyne/cm
Density: 1.376 g/cm³
Flash Point: 80 °C
Enthalpy of Vaporization: 44.49 kJ/mol
Melting Point: 180-183 °C (dec.)(lit.)
Boiling Point: 208.6 °C at 760 mmHg
Vapour Pressure: 0.212 mmHg at 25°C
Water Solubility: soluble
Stability: Stable. Incompatible with strong oxidizing agents.
Physical Appearance: Product Categories: Pharmaceutical Intermediates;organic sulfide

Toxicity Data With Reference

1.	dnd-hmn:hla 20 µmol/L	BCPCA6 Biochemical Pharmacology. 25 (1976),821.
2.	orl-rat TDLo:1024 mg/kg/78W-C:ETA	JJIND8 JNCI, Journal of the National Cancer Institute. 67 (1981),75.
3.	orl-rat LD50:9160 µg/kg	MarJV# Personal Communication from Josef V. Marhold, VUOS, 539-18, Pardubice, Czechoslovakia, to the Editor of RTECS, Cincinnati, OH, March 29, 1977 29MAR77 .
4.	orl-mus LDLo:94 mg/kg	AECTCV Archives of Environmental Contamination and Toxicology. 14 (1985),111.
5.	ipr-mus LD50:1 mg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
6.	scu-mus LD50:16,407 µg/kg ABMGAJ 21,635,68
7.	ivn-mus LD50:13 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 122 (1958),110.
8.	orl-dog LD50:10 mg/kg	HBTXAC Handbook of Toxicology, Volumes I-V. 5 (1959),155.
9.	orl-cat LD50:20 mg/kg	PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 70 (1949),688.
10.	ipr-gpg LD50:24 mg/kg	PSEBAA &

Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes:T+
Risk Statements:28-52/53-26/27/28
R28:Very toxic if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements:22-26-36/37-45-61-28A-36/37/39
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:UN 2811 6.1/PG 2
WGK Germany:3
RTECS:VT4200000
F:8-9-23
HazardClass:6.1
PackingGroup:II
HS Code:29309070
Poison by ingestion, intraperitoneal, and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x and SO_x.

Specification

Thiosemicarbazide has the Synonyms of 1-Amino-2-thiourea; 1-Aminothiourea; 2-Thiosemicarbazide; 3-Thiosemicarbazide; Hydrazinecarbothioamide; N-Aminothiourea; NSC 2213; Semicarbazide, 3-thio-; Semicarbazide, thio-; Thiocarbamoylhydrazine; Thiocarbamylhydrazine. With the CAS NO.79-19-6, it is a white crystalline solid. Thiosemicarbazide is used for the synthesis of anti-TB drugs such as Thioacetazone and sulfa drugs. And it is used as a pesticide intermediate, rubber additives, synthetic resin additives and analytical reagent. It is used for the preparation of carbamate insecticides and thiadiazole fungicides and also used as a rodenticide intermediate.

Physical properties about Thiosemicarbazide are: (1)ACD/LogP: -1.155; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.61; (8)ACD/KOC (pH 7.4): 5.60; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 24.637 cm³; (14)Molar Volume: 66.201 cm³; (15)Polarizability: 9.767 10-24cm³; (16)Surface Tension: 91.0770034790039 dyne/cm; (17)Density: 1.377 g/cm³; (18)Flash Point: 79.953 °C; (19)Enthalpy of Vaporization: 44.485 kJ/mol; (20)Boiling Point: 208.59 °C at 760 mmHg; (21)Vapour Pressure: 0.211999997496605 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
3. Wear suitable protective clothing and gloves;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. Avoid release to the environment. Refer to special instructions safety data sheet;
6. Wear suitable protective clothing, gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5);
(2)InChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N;
(3)SmilesC(NN)(N)=S;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	9100ug/kg (9.1mg/kg)		Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
cat	LD50	oral	20mg/kg (20mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Proceedings of the Society for Experimental Biology and Medicine. Vol. 70, Pg. 688, 1949.
dog	LD50	oral	10mg/kg (10mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 155, 1959.
guinea pig	LD50	intraperitoneal	24mg/kg (24mg/kg)	GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Proceedings of the Society for Experimental Biology and Medicine. Vol. 70, Pg. 688, 1949.
mouse	LD50	intraperitoneal	1mg/kg (1mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	intravenous	13mg/kg (13mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 122, Pg. 110, 1958.
mouse	LD50	subcutaneous	16407ug/kg (16.407mg/kg)		Acta Biologica et Medica Germanica. Vol. 21, Pg. 635, 1968.
mouse	LDLo	oral	94mg/kg (94mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rabbit	LD50	oral	13mg/kg (13mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 686, 1960.
rabbit	LD50	skin	2200mg/kg (2200mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0539438,
rabbit	LDLo	ocular	50mg/kg (50mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE	National Technical Information Service. Vol. OTS0539438,
rabbit	LDLo	subcutaneous	14mg/kg (14mg/kg)	BEHAVIORAL: EXCITEMENT ENDOCRINE: HYPERGLYCEMIA	Journal of Pharmacology and Experimental Therapeutics. Vol. 30, Pg. 87, 1927.
rat	LD50	oral	9160ug/kg (9.16mg/kg)		Personal Communication from J.V. Marhold, VUOS, 539-18, Pardubice, Czechoslavakia, Mar. 29, 1977Vol. 29MAR1977,