Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)

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Names

[ CAS No. ]:
64039-42-5

[ Name ]:
Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)

[Synonym ]:
Caprylylglycine
N-n-octanoylglycine
Capryloyl glycine
N-caprylyl glycine
octanoylglycine
2-octanamidoacetic acid

Chemical & Physical Properties

[ Boiling Point ]:
399.7ºC at 760mmHg

[ Molecular Formula ]:
C10H10BrN3O2S

[ Molecular Weight ]:
316.17400

[ Flash Point ]:
195.5ºC

[ Exact Mass ]:
314.96800

[ PSA ]:
112.55000

[ LogP ]:
2.56280

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UN1050000
CHEMICAL NAME :
Pseudourea, 2-phthalimidomethyl-2-thio-, hydrobromide
CAS REGISTRY NUMBER :
64039-42-5
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N3-O2-S.Br-H
MOLECULAR WEIGHT :
316.20
WISWESSER LINE NOTATION :
MUYZSMVR BVZ &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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: AD277-689

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phthalimide, N-(bromomethyl)-

DownStream

Related Compounds

  • 2-(Aminomethyl)-4-(Boc-aminomethyl)-pyridine HCl
  • 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(6-(trifluoromethyl)pyridin-2-yl)-1H-indazole
  • 8-(1-Propyl-1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
  • 1,3-Difluoro-2-[2-fluoro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)benzene
  • 1,3-Difluoro-2-(3-fluoro-4-methyl-phenoxy)-5-(trifluoromethyl)benzene
  • 1,3-Difluoro-2-(2-fluoro-4-methyl-phenoxy)-5-(trifluoromethyl)benzene
  • 1,3-Difluoro-2-(4-fluorophenoxy)-5-(trifluoromethyl)benzene
  • 1,3-Difluoro-2-(2-fluorophenoxy)-5-(trifluoromethyl)benzene
  • 1,3-Dichloro-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-fluorobenzene
  • 2-(2-Chloro-5-fluoro-phenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
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