2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-

Modify Date: 2025-09-22 17:58:21

2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)- structure	Common Name	2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-
	CAS Number	36998-77-3	Molecular Weight	282.72400
	Density	1.362g/cm3	Boiling Point	519.5ºC at 760mmHg
	Molecular Formula	C₁₆H₁₁ClN₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	268ºC

Name	(E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one

Density	1.362g/cm3
Boiling Point	519.5ºC at 760mmHg
Molecular Formula	C₁₆H₁₁ClN₂O
Molecular Weight	282.72400
Flash Point	268ºC
Exact Mass	282.05600
PSA	45.75000
LogP	4.11240
Index of Refraction	1.725
InChIKey	VLOYJJMQBUMMMP-JXMROGBWSA-N
SMILES	O=C(C=Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD5572505

CHEMICAL NAME :: 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-

CAS REGISTRY NUMBER :: 36998-77-3

LAST UPDATED :: 199703

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H11-Cl-N2-O

MOLECULAR WEIGHT :: 282.74

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3755314

HS Code	2933990090

4-Chlorobenzaldehyde

CAS#:104-88-1

2-Acetylbenzimi...

CAS#:939-70-8

~92%

2-Propen-1-one,...

CAS#:36998-77-3

Literature: Dubey; Kumar, C. Ravi; Babu, Balaji Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 12 p. 3128 - 3130

N/A

CAS#:16414-04-3

2-Propen-1-one,...

CAS#:36998-77-3

Literature: Dubey; Kumar, C. Ravi; Babu, Balaji Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 12 p. 3128 - 3130

Precursor 2
CAS#:104-88-1 4-Chlorobenzaldehyde CAS#:939-70-8 2-Acetylbenzimi...
DownStream 0

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%

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2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-

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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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