ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate

Modify Date: 2025-09-24 11:12:30

ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate structure	Common Name	ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
	CAS Number	97181-05-0	Molecular Weight	323.13900
	Density	1.602g/cm3	Boiling Point	473.3ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₁BrO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	240ºC

Name	ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate
Synonym	More Synonyms

Density	1.602g/cm3
Boiling Point	473.3ºC at 760 mmHg
Molecular Formula	C₁₄H₁₁BrO₄
Molecular Weight	323.13900
Flash Point	240ºC
Exact Mass	321.98400
PSA	52.60000
LogP	2.83630
Index of Refraction	1.653
InChIKey	KVCGXOQPKYEPIU-MDWZMJQESA-N
SMILES	CCOC(=O)C=C1OC(c2ccc(Br)cc2)=CC1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF6360000

CHEMICAL NAME :: Acetic acid, (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester

CAS REGISTRY NUMBER :: 97181-05-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H11-Br-O4

MOLECULAR WEIGHT :: 323.16

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 :: >600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 25,891,1991

Ethyl 2-(triphe...

CAS#:1099-45-2

5-(4-bromopheny...

CAS#:55991-70-3

~83%

ethyl (2E)-2-[5...

CAS#:97181-05-0

Literature: Andreichikov, Yu. S.; Koz'minykh, V. O.; Manelova, E. N. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 2 p. 363 - 366 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 2 p. 402 - 406

Precursor 2
CAS#:1099-45-2 Ethyl 2-(triphe... CAS#:55991-70-3 5-(4-bromopheny...
DownStream 0

Ethyl (5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

Acetic acid,(5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-,ethyl ester

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ethyl (2E)-2-[5-(4-bromophenyl)-3-oxofuran-2-ylidene]acetate

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

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.