2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one

Modify Date: 2025-09-11 06:14:20

2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one structure	Common Name	2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one
	CAS Number	108132-91-8	Molecular Weight	233.22300
	Density	1.51g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₁H₁₁N₃O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	3-(1,3-benzodioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one
Synonym	More Synonyms

Density	1.51g/cm3
Molecular Formula	C₁₁H₁₁N₃O₃
Molecular Weight	233.22300
Exact Mass	233.08000
PSA	69.40000
LogP	1.39930
Index of Refraction	1.694
InChIKey	MTTOIYLOOURSTB-UHFFFAOYSA-N
SMILES	CCn1c(-c2ccc3c(c2)OCO3)n[nH]c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5481100

CHEMICAL NAME :: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-

CAS REGISTRY NUMBER :: 108132-91-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H11-N3-O3

MOLECULAR WEIGHT :: 233.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 500 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: 21,277,1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 100 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: 21,277,1986

HS Code	2934999090

2-(benzo[d][1,3...

CAS#:108132-79-2

~66%

2,4-Dihydro-5-(...

CAS#:108132-91-8

Literature: Mazzone; Puglisi; Corsaro; et al. European Journal of Medicinal Chemistry, 1986 , vol. 21, # 4 p. 277 - 284

3,4-methylenedi...

CAS#:22026-39-7

2,4-Dihydro-5-(...

CAS#:108132-91-8

Literature: Mazzone; Puglisi; Corsaro; et al. European Journal of Medicinal Chemistry, 1986 , vol. 21, # 4 p. 277 - 284

Precursor 2
CAS#:108132-79-2 2-(benzo[d][1,3... CAS#:22026-39-7 3,4-methylenedi...
DownStream 0

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

3H-1,2,4-Triazol-3-one,5-(1,3-benzodioxol-5-yl)-4-ethyl-2,4-dihydro

2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one

3H-1,2,4-Triazol-3-one,2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl

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Product Name: 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one
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2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.