Carbamimidothioic acid,(2-chlorophenyl)methyl ester, hydrochloride (1:1)

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Names

[ CAS No. ]:
3778-85-6

[ Name ]:
Carbamimidothioic acid,(2-chlorophenyl)methyl ester, hydrochloride (1:1)

[Synonym ]:
2-chlorophenylmethyl carbamimidothioate hydrochloride
2-chlorobenzylisothiourea hydrochloride
2-chlorobenzyl imidothiocarbamate

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
315.9ºC at 760 mmHg

[ Molecular Formula ]:
C8H10Cl2N2S

[ Molecular Weight ]:
237.14900

[ Flash Point ]:
144.9ºC

[ Exact Mass ]:
235.99400

[ PSA ]:
75.17000

[ LogP ]:
4.06870

[ Index of Refraction ]:
1.625

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM0940500
CHEMICAL NAME :
Pseudourea, 2-(2-chlorobenzyl)-2-thio-, hydrochloride
CAS REGISTRY NUMBER :
3778-85-6
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H9-Cl-N2-S.Cl-H
MOLECULAR WEIGHT :
237.16
WISWESSER LINE NOTATION :
MUYZS1R BG &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,649,1967

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • o-Chlorobenzylchloride
  • 2-Chlorobenzyl alcohol

DownStream

  • (2-Chlorophenyl)-methanesulfonyl chloride

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • BEN-DND-7e92b6ca-12
  • (R)-1-(4-methylbenzyl)pyrrolidin-3-ol
  • 5-Tert-butyl-4-cyclopropoxynicotinic acid
  • tert-Butyl 3-(((pyridin-2-ylmethyl)sulfinyl)methyl)piperidine-1-carboxylate
  • 2-Methoxy-1-(methoxymethyl)-1H-imidazole-5-carbaldehyde
  • 2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-B]pyrazine
  • 4-Tert-butyl-2-cyclopropoxy-1-methylbenzene
  • tert-Butyl 2-((pyridin-2-ylamino)methyl)pyrrolidine-1-carboxylate
  • N-(5-Cyclopropoxy-4-(trifluoromethyl)pyridin-2-YL)methanesulfonamide
  • tert-Butyl 2-((pyrazin-2-ylamino)methyl)pyrrolidine-1-carboxylate
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