3-Oxo-1-indanecarboxylic acid

Modify Date: 2024-01-01 23:46:06

3-Oxo-1-indanecarboxylic acid Structure
3-Oxo-1-indanecarboxylic acid structure
Common Name 3-Oxo-1-indanecarboxylic acid
CAS Number 29427-69-8 Molecular Weight 176.169
Density 1.4±0.1 g/cm3 Boiling Point 365.0±41.0 °C at 760 mmHg
Molecular Formula C10H8O3 Melting Point 111-113 °C(lit.)
MSDS Chinese USA Flash Point 188.7±24.1 °C

 Names

Name 3-oxo-1,2-dihydroindene-1-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 365.0±41.0 °C at 760 mmHg
Melting Point 111-113 °C(lit.)
Molecular Formula C10H8O3
Molecular Weight 176.169
Flash Point 188.7±24.1 °C
Exact Mass 176.047348
PSA 54.37000
LogP 0.98
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.619

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK8260000
CHEMICAL NAME :
1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CAS REGISTRY NUMBER :
29427-69-8
BEILSTEIN REFERENCE NO. :
2098797
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-O3
MOLECULAR WEIGHT :
176.18

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 :
1650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJPPAZ Indian Journal of Physiology and Pharmacology. (All India Institute of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029, India) V.1- 1957- Volume(issue)/page/year: 24,310,1980

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NK8260000
HS Code 2918300090

 Synthetic Route

~80%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Prescient NeuroPharma Inc. Patent: US6699909 B1, 2004 ; Location in patent: Page/Page column 25-26; 29-31 ;

~93%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Vebrel, Joel; Carrie, Robert Bulletin de la Societe Chimique de France, 1982 , vol. 2, # 5-6 p. 161 - 166

~%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Paquette,L.A.; Varadarajan,A.; Bay,E. Journal of the American Chemical Society, 1984 , vol. 106, p. 6702

~%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Paquette,L.A.; Varadarajan,A.; Bay,E. Journal of the American Chemical Society, 1984 , vol. 106, p. 6702

~%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Speight; Stevenson; Thorpe Journal of the Chemical Society, 1924 , vol. 125, p. 2191

~%

3-Oxo-1-indanecarboxylic acid Structure

3-Oxo-1-indanec...

CAS#:29427-69-8

Literature: Witkowskii; Schemjakin Zhurnal Obshchei Khimii, 1952 , vol. 22, p. 679,685;engl.Ausg.S.743,747

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Articles3

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Kinetic resolution of 3-hydroxymethylbenzocycloalkanols by selective asymmetric hydrogen-transfer oxidation. Caro Y, et al.

Tetrahedron Asymmetry 14(23) , 3689-96, (2003)

Super/subcritical fluid chromatography separations with four synthetic polymeric chiral stationary phases. Han X, et al.

Chromatographia 65(7-8) , 381-400, (2007)

Extending the Range of Solvents for Chiral Analysis Using a New Immobilized Polysaccharide Chiral Stationary Phase, CHIRALPAK IA. Cox GB and Amoss CW.

LCGC North Am. 22(2) , 32, (2004)

 Synonyms

3-Oxo-1-indanecarboxylic acid
MFCD00092224
1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
1-carboxy-3-indanone
3-Oxo-2,3-dihydro-1H-indene-1-carboxylic acid
3-oxo-1-indancarboxylicacid
3-Oxo-1-indancarboxylic acid
3-Oxo-indan-1-carboxylic acid
3-Oxoindane-1-carboxylic acid