Phenol,4-(1,3-dithiolan-2-yl)-

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Names

[ CAS No. ]:
22068-49-1

[ Name ]:
Phenol,4-(1,3-dithiolan-2-yl)-

[Synonym ]:
Phenol,p-(1,3-dithiolan-2-yl)
1,3-Dithiolane,2-(4-hydroxyphenyl)
4-[1,3]dithiolan-2-yl-phenol
MFCD00068127
4-hydroxyphenyl-1,3-dithiolane
p-(1,3-Dithiolan-2-yl)phenol
2-(4-hydroxyphenyl)-1,3-dithiolane

Chemical & Physical Properties

[ Density]:
1.319g/cm3

[ Boiling Point ]:
376.4ºC at 760mmHg

[ Melting Point ]:
114 °C

[ Molecular Formula ]:
C9H10OS2

[ Molecular Weight ]:
198.30500

[ Flash Point ]:
183ºC

[ Exact Mass ]:
198.01700

[ PSA ]:
70.83000

[ LogP ]:
2.87080

[ Vapour Pressure ]:
3.35E-06mmHg at 25°C

[ Index of Refraction ]:
1.675

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL3540500
CHEMICAL NAME :
Phenol, p-(1,3-dithiolan-2-yl)-
CAS REGISTRY NUMBER :
22068-49-1
BEILSTEIN REFERENCE NO. :
0141157
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-O-S2
MOLECULAR WEIGHT :
198.31
WISWESSER LINE NOTATION :
T5S CSTJ BR DQ

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 :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

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

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Preparation


Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • Phenol,4-(1,3-dithiolan-2-yl)-2,6-dimethoxy
  • 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenol
  • 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl methanesulfonate
  • 2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-dithiolane
  • (2S)-4-(1,3-dithiolan-2-yl)-1-(2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl)-2-propylpiperidine
  • 2-[4-(1,3-DITHIOLAN-2-YL)PHENOXY]ETHANOHYDRAZIDE
  • 3-[2-(4-Fluorophenoxy)ethyl]piperidine
  • (3-Bromophenyl)(4-(phenylsulfonyl)piperidin-1-yl)methanone
  • 4-Methoxyphenyl 2-(3-piperidinyl)ethyl ether
  • 3-{2-[4-(tert-Butyl)phenoxy]ethyl}piperidine
  • 3-[2-(2,3-Dihydro-1H-inden-5-yloxy)ethyl]-piperidine
  • N-(3,5-dimethylphenyl)-2-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
  • methyl (2S)-4-(4-bromo-2-chlorophenoxy)pyrrolidine-2-carboxylate
  • methyl (2S)-4-(2-chloro-5-methylphenoxy)pyrrolidine-2-carboxylate
  • methyl (2S)-4-(2-benzyl-4-chlorophenoxy)pyrrolidine-2-carboxylate
  • 2-(4-isopropylphenoxy)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
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