2-(2-Benzothiazolylthio)ethanol

Names

[ CAS No. ]:
4665-63-8

[ Name ]:
2-(2-Benzothiazolylthio)ethanol

[Synonym ]:
2-benzothiazol-2-ylmercapto-ethanol
MFCD00463760
2-(Benzothiazol-2-ylsulfanyl)-ethanol
HMBT
2-Benzothiazol-2-ylmercapto-aethanol
2-(2-benzothiazolylthio)ethanol
2-<2-Hydroxy-ethyl >-mercapto-benzthiazol
2,6-PYRIDINE DICARBOXYLIC ACID METHYL ESTER,>
2-benzothiazol-2-ylthioethan-1-ol
2-(2-Hydroxyethylmercapto)benzothiazole
BENZOTHIAZOLE,2-(2-HYDROXYETHYLTHIO)

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
378.4ºC at 760mmHg

[ Melting Point ]:
50-55ºC(lit.)

[ Molecular Formula ]:
C9H9NOS2

[ Molecular Weight ]:
211.30400

[ Flash Point ]:
182.7ºC

[ Exact Mass ]:
211.01300

[ PSA ]:
86.66000

[ LogP ]:
2.38070

[ Index of Refraction ]:
1.707

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL4900000
CHEMICAL NAME :
Benzothiazole, 2-(2-hydroxyethylthio)-
CAS REGISTRY NUMBER :
4665-63-8
LAST UPDATED :
199309
WISWESSER LINE NOTATION :
T56 BN DSJ CS2Q

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 :
1017 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,221,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
417 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,221,1969 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
728 mg/kg/7D-I
TOXIC EFFECTS :
Liver - liver function tests impaired
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,221,1969

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
20/21/22-36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
DL4900000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Indoethanol
  • 2-Mercaptobenzothiazole
  • Ethylene glycol
  • Sodium 2-Mercaptobenzothiazole
  • 2-Chloroethanol
  • 2(3H)-Benzothiazolethione,potassium salt (1:1)

DownStream

  • 1,4-Dithiane
  • benzothiazolinone

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%

Articles

Spectral features, electric properties, NBO analysis and reactivity descriptors of 2-(2-Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 136PC , 1205-1215, (2014)

Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers, nuclear magnetic behaviors, electronic absorption spectra along with the nonlinear optical prop...

Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening.

Environ. Pollut. 184 , 25-32, (2014)

To detect site-specific, suspected and formerly unknown contaminants in a wastewater treatment plant effluent, we established a screening procedure based on liquid chromatography-high resolution mass ...

Leaching of a contaminant into the contents of disposable syringes.

Aust. N. Z. J. Med. 11(2) , 208-9, (1981)


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