1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (E)-

Modify Date: 2025-09-21 06:48:54

1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (E)- structure	Common Name	1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (E)-
	CAS Number	74271-49-1	Molecular Weight	304.72500
	Density	1.353g/cm3	Boiling Point	489.8ºC at 760 mmHg
	Molecular Formula	C₁₆H₁₃ClO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	250ºC

Name	(2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
Synonym	More Synonyms

Density	1.353g/cm3
Boiling Point	489.8ºC at 760 mmHg
Molecular Formula	C₁₆H₁₃ClO₄
Molecular Weight	304.72500
Flash Point	250ºC
Exact Mass	304.05000
PSA	55.76000
LogP	3.42320
Index of Refraction	1.6
InChIKey	UMBAPIWARGTVLV-HOTGVXAUSA-N
SMILES	CC1(c2ccccc2)OC(C(=O)O)Oc2ccc(Cl)cc21

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF3509390

CHEMICAL NAME :: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (E)-

CAS REGISTRY NUMBER :: 74271-49-1

LAST UPDATED :: 199403

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H13-Cl-O4

MOLECULAR WEIGHT :: 304.74

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 :: 150 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: 18,67,1983

1H-Indole-3-propanoic acid,2-carboxy-5-methoxy

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