allylthiourea

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Names

[ CAS No. ]:
109-57-9

[ Name ]:
allylthiourea

[Synonym ]:
1-Prop-2-en-1-ylthioharnstoff
prop-2-enylthiourea
Allyl thiourea
Thiosinamine
1-Allyl-2-thiourea
EINECS 203-683-5
thiourea, N-2-propenyl-
1-Allylthiourea
Thiourea, N-2-propen-1-yl-
MFCD00004940
allylthiourea

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
191.3±33.0 °C at 760 mmHg

[ Melting Point ]:
70-72 °C(lit.)

[ Molecular Formula ]:
C₄H₈N₂S

[ Molecular Weight ]:
116.185

[ Flash Point ]:
69.5±25.4 °C

[ Exact Mass ]:
116.040817

[ PSA ]:
70.14000

[ LogP ]:
0.12

[ Vapour Pressure ]:
0.5±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.562

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
67 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YR8050000

CHEMICAL NAME :: Urea, 1-allyl-2-thio-

CAS REGISTRY NUMBER :: 109-57-9

BEILSTEIN REFERENCE NO. :: 1071470

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C4-H8-N2-S

MOLECULAR WEIGHT :: 116.20

WISWESSER LINE NOTATION :: SUYZM2U1

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 :: 200 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Endocrine - hyperglycemia

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1858 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 110 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 150 ug/plate

REFERENCE :: ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83304 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 30 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83304 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 5526 (estimated) No. of Female Employees: 5182 (estimated)

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
R25

[ Safety Phrases ]:
S45-S24/25

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
YR8050000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-allyl-4,4,6-trimethyl-1,4-dihydropyrimidine
Allyl isothiocyanate
allylurea
2-Thiazolamine,5-(bromomethyl)-4,5-dihydro-(9CI)
5-oxo-1-(4-sulfo-phenyl)-4-(4-sulfo-phenylhydrazono)-4,5-dihydro-1H-pyrazole-3-carboxylic acid , trisodium-salt
Ammonia

DownStream

ethyl N'-prop-2-enylcarbamimidothioate,hydroiodide
ALLYL-(4-PHENYL-THIAZOL-2-YL)-AMINE
propene
hexaethyl disilazane
Hexaethyldisiloxane
2-amino-5,6-dihydro-4H-1,3-thiazine
5-methyl-4,5-dihydro-thiazol-2-ylamine
allylurea
ethyl N'-prop-2-enylcarbamimidothioate

Customs

[ HS Code ]: 29309070

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