5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol

Modify Date: 2024-01-10 19:08:16

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure
5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol structure
 Common Name 5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number 26028-65-9 Molecular Weight 211.67100
Density 1.55g/cm3 Boiling Point 296.8ºC at 760mmHg
Molecular Formula C8H6ClN3S Melting Point 295-299ºC(lit.)
MSDS Chinese USA Flash Point 133.3ºC

 Names

Name 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.55g/cm3
Boiling Point 296.8ºC at 760mmHg
Melting Point 295-299ºC(lit.)
Molecular Formula C8H6ClN3S
Molecular Weight 211.67100
Flash Point 133.3ºC
Exact Mass 210.99700
PSA 80.37000
LogP 2.41380
Vapour Pressure 0.0014mmHg at 25°C
Index of Refraction 1.746

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5270815
CHEMICAL NAME :
s-Triazole-3-thiol, 5-(p-chlorophenyl)-
CAS REGISTRY NUMBER :
26028-65-9
LAST UPDATED :
199512
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-Cl-N3-S
MOLECULAR WEIGHT :
211.68

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 :
>800 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: 31,1253,1988

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
HS Code 2933990090

 Synthetic Route

1-(p-Chlorobenzoyl)-thiosemicarbazide structure

1-(p-Chlorobenz...

CAS#:64310-32-3

~90%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Murty; Ram, Kesur R.; Rao, Rayudu Venkateswara; Yadav; Rao, Janapala Venkateswara; Pamanji; Velatooru Letters in Drug Design and Discovery, 2012 , vol. 9, # 3 p. 276 - 281
4-Chlorobenzoyl chloride structure

4-Chlorobenzoyl...

CAS#:122-01-0

~%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Tozkoparan, Birsen; Kilcigil, Guelguen Ayhan; Ertan, Rahmiye; Ertan, Mevluet; Kelicen, Pelin; Demirdamar, Ruemeysa Arzneimittel-Forschung/Drug Research, 1999 , vol. 49, # 12 p. 1006 - 1011
ethyl N-carbamothioyl-4-chlorobenzohydrazonate structure

ethyl N-carbamo...

CAS#:96134-02-0

~19%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9

5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine structure

5-(4-chlorophen...

CAS#:28004-62-8
Literature: Malbec, Frederique; Milcent, Rene; Barbier, Geo Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 1689 - 1698
Methyl 4-chlorobenzoate structure

Methyl 4-chloro...

CAS#:1126-46-1

~%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Murty; Ram, Kesur R.; Rao, B. Ramalingeswara; Rao, Rayudu Venkateswara; Katiki, Mohana Rao; Rao, Janapala Venkateswara; Pamanji; Velatooru Medicinal Chemistry Research, 2014 , vol. 23, # 4 p. 1661 - 1671
4-chlorobenzhydrazide structure

4-chlorobenzhyd...

CAS#:536-40-3

~%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Murty; Ram, Kesur R.; Rao, B. Ramalingeswara; Rao, Rayudu Venkateswara; Katiki, Mohana Rao; Rao, Janapala Venkateswara; Pamanji; Velatooru Medicinal Chemistry Research, 2014 , vol. 23, # 4 p. 1661 - 1671
4-Chlorobenzoic acid structure

4-Chlorobenzoic acid

CAS#:74-11-3

~%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Murty; Ram, Kesur R.; Rao, B. Ramalingeswara; Rao, Rayudu Venkateswara; Katiki, Mohana Rao; Rao, Janapala Venkateswara; Pamanji; Velatooru Medicinal Chemistry Research, 2014 , vol. 23, # 4 p. 1661 - 1671
4-Chlorobenzimidoyl Ethyl Ether Hydrochloride structure

4-Chlorobenzimi...

CAS#:40546-41-6

~%

5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol Structure

5-(4-Chlorophen...

CAS#:26028-65-9
Literature: Malbec, Frederique; Milcent, Rene; Barbier, Geo Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 1689 - 1698

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-(4-chlorophenyl)-1h-1,2,4-triazole-3-thiol
3-(p-chlorophenyl)-5-mercapto-s-triazole
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione
3-Mercapto-5-p-chlorophenyl-1,2,4-triazol
s-Triazole-3-thiol,5-(p-chlorophenyl)
3-MERCAPTO-5(4-CHLOROPHENYL)-[1,2,4-]TRIAZOLE
3-Mercapto-5-(p-chloro-phenyl)-s-triazole
MFCD00663556
3-(4-Chlor-phenyl)-5-mercapto-1,2,4-triazol
5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
5-(p-Chlorophenyl)-s-triazole-3-thiol
3-(p-chlorophenyl)-5-mercapto-4H-1,2,4-triazole
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Chemsrc provides CAS#:26028-65-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol>> amp version: 5-(4-Chlorophenyl)-4H-1,2,4-triazole-3-thiol

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