Henan Tianfu Chemical Co., Ltd.
China
Product Name: 4,6-Dihydroxy-2-mercaptopyrimidine
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

504-17-6

504-17-6 structure

Name: 4,6-Dihydroxy-2-mercaptopyrimidine
Chemical Name: 2-thiobarbituric acid
CAS Number: 504-17-6
Molecular Formula: C₄H₄N₂O₂S
Molecular Weight: 144.152
Catalog: Pharmaceutical intermediate Heterocyclic compound Pyrimidine compound Mercaptopyrimidine
Create Date: 2018-07-15 19:20:56
Modify Date: 2024-01-02 11:10:49

Name	2-thiobarbituric acid
Synonyms	4,6(1H,5H)-pyrimidinedione, 2-mercapto- 4,6-Dihydroxy-2-mercaptopyrimidine usafek-660 2-Sulfanylpyrimidine-4,6(1H,5H)-dione 2-Mercapto-4,6(1H,5H)-pyrimidinedione 2-Mercapto-4 Thiobarbituric Acid 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo- Thiobarbituric bathyran Thiobarbituicacid 2-thioxodihydropyrimidine-4,6(1h,5h)-dione MFCD00006674 AURORA KA-3842 EINECS 207-985-8 MALONYLTHIOUREA Mealonylthiourea 2-Thiobarbituric Acid 2-Thioxodihydro-4,6(1H,5H)-pyrimidinedione 4,6-Dihydroxypyrimidine-2-thiol austranal

Density	1.6±0.1 g/cm3
Boiling Point	463.4ºC at 760 mmHg
Melting Point	245 °C (dec.)(lit.)
Molecular Formula	C₄H₄N₂O₂S
Molecular Weight	144.152
Flash Point	234ºC
Exact Mass	143.999344
PSA	90.29000
LogP	-0.52
Index of Refraction	1.645
Storage condition	Controlled Substance, -20°C Freezer
Stability	Stable. Incompatible with strong oxidizing agents.
Water Solubility	<6 g/L (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ7700000

CHEMICAL NAME :: Barbituric acid, 2-thio-

CAS REGISTRY NUMBER :: 504-17-6

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C4-H4-N2-O2-S

MOLECULAR WEIGHT :: 144.16

WISWESSER LINE NOTATION :: T6VMYMV FHJ CUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5060 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 829 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 4650 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(5),50,1981

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S22-S24/25-S37/39-S26
RIDADR	UN 3335
WGK Germany	2
RTECS	CQ7700000
HS Code	29335995

17356-08-0

105-53-3

~72%

504-17-6

Literature: Medicinal Chemistry Research, , vol. 22, # 9 p. 4075 - 4086

996-82-7

17356-08-0

504-17-6

Literature: Journal fuer Praktische Chemie (Leipzig), , vol. <2> 35, p. 456 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 49, p. 38

17356-08-0

108-59-8

504-17-6

Literature: Canadian Journal of Chemistry, , vol. 64, p. 2087 - 2093

1004-40-6

7664-93-9

504-17-6

Literature: Justus Liebigs Annalen der Chemie, , vol. 340, p. 312

1004-39-3

7664-93-9

504-17-6

Literature: DE171292 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 8, p. 1091

Precursor 6
105-53-3 996-82-7 108-59-8 1004-40-6
7664-93-9 1004-39-3
DownStream 10
145783-12-6 181520-02-5 141-82-2 23193-24-0
29639-68-7 67-52-7 36137-21-0 1979-98-2
120244-32-8 27430-13-3

HS Code	2933599090
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

504-17-6	157796-99-1
31645-12-2	97513-51-4
63447-35-8	33514-96-4
21987-07-5	5244-31-5
70254-48-7	780758-67-0