(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride

Names

[ CAS No. ]:
102107-59-5

[ Name ]:
(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride

[Synonym ]:
4-(prop-2-en-1-yloxy)piperidine hydrochloride
4-(allyloxy)piperidine hydrochloride
4-(amino-[1,3,4]thiadiazol-2-yl)-2-methoxy-phenol,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
358ºC at 760 mmHg

[ Molecular Formula ]:
C9H10ClN3O2S

[ Molecular Weight ]:
259.71300

[ Flash Point ]:
170.3ºC

[ Exact Mass ]:
259.01800

[ PSA ]:
109.97000

[ LogP ]:
0.88650

[ Vapour Pressure ]:
2.63E-05mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ6925000
CHEMICAL NAME :
Phenol, 4-(2-amino-1,3,4-thiadiazol-5-yl)-2-methoxy-, hydrochloride, hydrate
CAS REGISTRY NUMBER :
102107-59-5
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N3-O2-S.Cl-H.H2-O
MOLECULAR WEIGHT :
277.75
WISWESSER LINE NOTATION :
T5NN DSJ CZ ER DQ CO1 &GH &QH

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 :
542 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,187,1958

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Vanillin
  • Thiosemicarbazide

DownStream

Related Compounds

  • methyl 1-(2-chloroethyl)-1H-1,2,3-triazole-4-carboxylate hydrochloride
  • 2-fluoro-N-(2-(furan-3-yl)-2-hydroxyethyl)benzenesulfonamide
  • N-(2-(furan-3-yl)-2-hydroxyethyl)-3,5-dimethylisoxazole-4-sulfonamide
  • N-[2-(furan-3-yl)-2-hydroxyethyl]-5-methylthiophene-2-sulfonamide
  • (E)-N-(2-(furan-3-yl)-2-hydroxyethyl)-2-phenylethenesulfonamide
  • N-(2-(furan-3-yl)-2-hydroxyethyl)-2-phenylethanesulfonamide
  • 1-[2-(6-Bromo-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetyl]piperidine-4-carboxamide
  • 4-Bromo-2-methyl-5-nitrobenzene-1-sulfonyl chloride
  • N-(2-(furan-3-yl)-2-hydroxyethyl)-1-(m-tolyl)methanesulfonamide
  • 6,8-Dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
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