2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

Modify Date: 2025-09-09 10:19:59

2-Chloro-1-phenyl-1H-indole-3-carboxylic acid structure	Common Name	2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
	CAS Number	54778-22-2	Molecular Weight	271.69800
	Density	1.33g/cm3	Boiling Point	371.2ºC at 760 mmHg
	Molecular Formula	C₁₅H₁₀ClNO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	178.3ºC

Name	2-chloro-1-phenylindole-3-carboxylic acid
Synonym	More Synonyms

Density	1.33g/cm3
Boiling Point	371.2ºC at 760 mmHg
Molecular Formula	C₁₅H₁₀ClNO₂
Molecular Weight	271.69800
Flash Point	178.3ºC
Exact Mass	271.04000
PSA	42.23000
LogP	3.98210
Index of Refraction	1.651
InChIKey	FWZUBSMPPRSUSD-UHFFFAOYSA-N
SMILES	O=C(O)c1c(Cl)n(-c2ccccc2)c2ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL5998504

CHEMICAL NAME :: 1H-Indole-3-carboxylic acid, 2-chloro-1-phenyl-

CAS REGISTRY NUMBER :: 54778-22-2

BEILSTEIN REFERENCE NO. :: 0481979

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C15-H10-Cl-N-O2

MOLECULAR WEIGHT :: 271.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977

2-chloro-1-phen...

CAS#:38367-40-7

~78%

2-Chloro-1-phen...

CAS#:54778-22-2

Literature: Aventis Pharmaceuticals Inc. Patent: US2005/54631 A1, 2005 ; Location in patent: Page/Page column 25-26 ;

Precursor 1
CAS#:38367-40-7 2-chloro-1-phen...
DownStream 0

1-Phenyl-2-chloroindole-3-carboxylic acid

2-chloro-1-phenyl-indole-3-carboxylic acid

1H-Indole-3-carboxylic acid,2-chloro-1-phenyl

2-Chlor-1-phenylindol-3-carbonsaeure

2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

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Dayang Chem (Hangzhou) Co., Ltd.
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Product Name: 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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2-Chloro-1-phenyl-1H-indole-3-carboxylic acid

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.