Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride

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Names

[ CAS No. ]:
4357-96-4

[ Name ]:
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride

[Synonym ]:
4-nitrobenzyl carbamimidothioate hydrochloride(1:1)
4-nitrobenzyl imidothiocarbamate hydrochloride
2-(p-Nitrobenzyl)-2-thiopseudourea monohydrochloride
USAF PD-23
S-(4-nitro-benzyl)-isothiourea,hydrochloride
Pseudourea,2-(p-nitrobenzyl)thio-,hydrochloride
S-(4-Nitro-benzyl)-isothioharnstoff,Hydrochlorid
Pseudourea,2-(p-nitrobenzyl)-2-thio-,hydrochloride
S-(4-Nitro-benzyl)-isothiuronium-chlorid
2-(4-nitrobenzyl)-2-thiopseudourea hydrochloride
4-Nitrobenzyl thiopseudourea hydrochloride

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
387.7ºC at 760 mmHg

[ Molecular Formula ]:
C8H10ClN3O2S

[ Molecular Weight ]:
247.70200

[ Flash Point ]:
188.3ºC

[ Exact Mass ]:
247.01800

[ PSA ]:
120.99000

[ LogP ]:
3.84670

[ Index of Refraction ]:
1.662

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM9350000
CHEMICAL NAME :
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride
CAS REGISTRY NUMBER :
4357-96-4
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H9-N3-O2-S.Cl-H
MOLECULAR WEIGHT :
247.72
WISWESSER LINE NOTATION :
MUYZS1R DNW &GH

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 :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 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: AD295-864

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Nitrobenzyl chloride
  • (4-Nitrophenyl)methanol

DownStream

  • (4-Nitrophenyl)methanesulfonyl chloride
  • Benzaldehyde, 4-nitro-,hydrazone
  • Disulfide,bis[(4-nitrophenyl)methyl]

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%