1-(1,3-Benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-1H-pyrazole

Modify Date: 2025-10-26 11:46:35

1-(1,3-Benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-1H-pyrazole structure	Common Name	1-(1,3-Benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethyl-1H-pyrazole
	CAS Number	108132-61-2	Molecular Weight	278.69100
	Density	1.46g/cm3	Boiling Point	460.4ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₁ClN₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	232.2ºC

Name	1,3-benzodioxol-5-yl-(4-chloro-3,5-dimethylpyrazol-1-yl)methanone

Density	1.46g/cm3
Boiling Point	460.4ºC at 760 mmHg
Molecular Formula	C₁₃H₁₁ClN₂O₃
Molecular Weight	278.69100
Flash Point	232.2ºC
Exact Mass	278.04600
PSA	53.35000
LogP	2.57050
Vapour Pressure	1.17E-08mmHg at 25°C
Index of Refraction	1.655
InChIKey	FQNSBGQWWPBWEB-UHFFFAOYSA-N
SMILES	Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(C)c1Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ6125150

CHEMICAL NAME :: 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-chloro-3,5-dimethy l-

CAS REGISTRY NUMBER :: 108132-61-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H11-Cl-N2-O3

MOLECULAR WEIGHT :: 278.71

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 :: >1 gm/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 :: >400 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

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

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