1,2,3,4-Tetrahydrophthalazine hydrochloride

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Names

[ CAS No. ]:
60789-87-9

[ Name ]:
1,2,3,4-Tetrahydrophthalazine hydrochloride

[Synonym ]:
1,2,3,4-Tetrahydrophthalazine hydrochloride
hydrochloride salt of 1,2,3,4-tetrahydrophthalazine
1,2,3,4-tetrahydrophthalazinehydrochloride(1:1)
1,2,3,4-Tetrahydrophthalazin-hydrochlorid
Ro 5-0994
Phtalazine,1,2,3,4-tetrahydro-,monohydrochloride
Phthalazine,1,2,3,4-tetrahydro-,hydrochloride

Chemical & Physical Properties

[ Density]:
1.045g/cm3

[ Boiling Point ]:
233.4ºC at 760mmHg

[ Molecular Formula ]:
C8H11ClN2

[ Molecular Weight ]:
170.63900

[ Flash Point ]:
99.9ºC

[ Exact Mass ]:
170.06100

[ PSA ]:
24.06000

[ LogP ]:
2.25400

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TH9100000
CHEMICAL NAME :
Phthalazine, 1,2,3,4-tetrahydro-, hydrochloride
CAS REGISTRY NUMBER :
60789-87-9
LAST UPDATED :
199012
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H10-N2.Cl-H
MOLECULAR WEIGHT :
170.66
WISWESSER LINE NOTATION :
T66 CMMT&J &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
760 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,296,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
835 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,296,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,296,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
380 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,296,1972

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phthalazine
  • α,α′-dibromo-o-xylene
  • 2,3-Diisobutyryl-1,2,3,4-tetrahydrophthalazin

DownStream

  • 2-chloro-1-[3-(2-chloroacetyl)-1,4-dihydrophthalazin-2-yl]ethanone
  • 2-bromo-1-[3-(2-bromoacetyl)-1,4-dihydrophthalazin-2-yl]ethanone
  • 2-bromo-1-[3-(2-bromopropanoyl)-1,4-dihydrophthalazin-2-yl]propan-1-one

Related Compounds

  • 1,2,3,4-Tetrahydrophthalazine dihydrochloride
  • 1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
  • diethyl 1-hydroxy-1-phenyl-1,2,3,4-tetrahydrophthalazine-2,3-dicarboxylate
  • Benzaldehyde,pentafluoro-, 1,4-phthalazinediyldihydrazone (8CI)
  • o-Tolualdehyde,1,4-phthalazinediyldihydrazone (8CI)
  • o-Veratraldehyde,1,4-phthalazinediyldihydrazone (8CI)