1,2,3,4-tetrahydroisoquinoline hydrochloride

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Names

[ CAS No. ]:
14099-81-1

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

[Synonym ]:
1,2,3,4-tetrahydroisoquinoline,hydrochloride
1,2,3,4-Tetrahydroisoquinoline hydrochloride (1:1)
1,2,3,4-Tetrahydroisoquinoline Hydrochloride
Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
Isoquinoline 1,2,3,4-tetrahydro, hydrochloride (1:1)
MFCD00012740
1,2,3,4-tetrahydro-isoquinoline HCL

Chemical & Physical Properties

[ Density]:
1.006g/cm3

[ Boiling Point ]:
232.5ºC at 760mmHg

[ Melting Point ]:
198-202 °C

[ Molecular Formula ]:
C9H12ClN

[ Molecular Weight ]:
169.651

[ Flash Point ]:
98.9ºC

[ Exact Mass ]:
169.065826

[ PSA ]:
12.03000

[ LogP ]:
2.46310

[ Vapour Pressure ]:
0.0588mmHg at 25°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX5075000
CHEMICAL NAME :
Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride
CAS REGISTRY NUMBER :
14099-81-1
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H11-N.Cl-H
MOLECULAR WEIGHT :
169.67
WISWESSER LINE NOTATION :
T66 CNT&J &GH

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 :
303 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 18,1194,1975
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity Skin and Appendages - hair
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: 62,165,1938

Safety Information

[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S36/37/39-S26-S37/39

[ RTECS ]:
NX5075000

[ HS Code ]:
2933499090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl6-chloro-6-oxohexanoate(ThiocticAcidImpurity)
  • 1,2,3,4-Tetrahydroisoquinoline
  • Hydrochloric acid
  • 3.4-dihydro isoquinoline borane

DownStream

  • benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
  • 1-Phenyl-1,2,3,4-tetrahydroisoquinoline
  • 2-methyl-1,2,3,4-tetrahydroisoquinoline
  • Isoquinoline, 2-amino-1,2,3,4-tetrahydro- (8CI)

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 8-Nitro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
  • 5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • 2-Amino-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • 5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • 4-Ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • ethyl 3-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylate
  • Tert-butyl (3aR,6aS)-spiro[1,2,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-3,4'-piperidine]-1'-carboxylate
  • 3-(2,3-Dichlorophenyl)-2-methyl-2-nitrooxirane
  • cyclohexyl(1,5-dimethyl-1H-pyrazol-3-yl)methanol
  • cyclopentyl(1,5-dimethyl-1H-pyrazol-3-yl)methanol
  • N-[2-(4,4-Difluorocyclohexyl)-2-oxoethyl]-N-formylformamide
  • Rac-(1r,3s)-3-(tert-butoxy)-2,2-dimethylcyclobutan-1-amine
  • 3-[2-(Pyridin-2-yl)hydrazin-1-ylidene]azepan-2-one
  • 9-Chloro-7,10-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
  • [(1R,3R)-3-(Bromomethyl)cyclopentyl]benzene