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

  • 3,4-Dimethoxy-2-(isobutoxy)phenylboronic acid
  • 3-Spiral-cyclopentanyl-6-bromo-4-azaindol-2-one
  • 3-[3-(2-methoxyphenoxy)benzyl]-3,9-diazaspiro[5.5]undecane Dihydrochloride
  • 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-oxocyclobutane-1-carbonitrile
  • 1-(3,4-Dichlorophenyl)-3-oxocyclobutane-1-carbonitrile
  • 1-(4-Fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
  • Ethyl 2-(4-bromo-2-nitrophenyl)-2-methylpropanoate
  • tert-butyl (2S)-2-[2-(4-bromo-2-nitrophenyl)propan-2-ylcarbamoyl]pyrrolidine-1-carboxylate
  • 2-(4-Bromo-2-nitrophenyl)-2-methylpropanoic acid
  • 1-(3-(N,N-Dimethylsulfamoyl)phenyl)cyclopropanecarboxylic acid
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