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

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

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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Related Compounds

  • allylthiourea
  • n-allylthiourea
  • Diallylthiourea
  • Ag(allylthiourea)Br
  • N-methyl-N'-allylthiourea
  • 1-(2-Chlorophenyl)-3-allylthiourea
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine