5-methoxyindole-2-carboxylic acid

Modify Date: 2024-01-02 17:22:48

5-methoxyindole-2-carboxylic acid Structure
5-methoxyindole-2-carboxylic acid structure
 Common Name 5-methoxyindole-2-carboxylic acid
CAS Number 4382-54-1 Molecular Weight 191.183
Density 1.4±0.1 g/cm3 Boiling Point 447.6±25.0 °C at 760 mmHg
Molecular Formula C10H9NO3 Melting Point 199-201 °C(lit.)
MSDS USA Flash Point 224.5±23.2 °C

 Names

Name 5-methoxyindole-2-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 447.6±25.0 °C at 760 mmHg
Melting Point 199-201 °C(lit.)
Molecular Formula C10H9NO3
Molecular Weight 191.183
Flash Point 224.5±23.2 °C
Exact Mass 191.058243
PSA 62.32000
LogP 2.22
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.677
Storage condition Refrigerator

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL6005000
CHEMICAL NAME :
Indole-2-carboxylic acid, 5-methoxy-
CAS REGISTRY NUMBER :
4382-54-1
LAST UPDATED :
199109
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O3
MOLECULAR WEIGHT :
191.20
WISWESSER LINE NOTATION :
T56 BMJ CVQ GO1

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 :
350 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: 9,453,1974

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NL6005000
HS Code 2933990090

 Synthetic Route

Ethyl 5-methoxy-1H-indole-2-carboxylate structure

Ethyl 5-methoxy...

CAS#:4792-58-9

~98%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Cruces, M. A.; Elorriaga, C.; Fernandez-Alvarez, E.; Lopez, O. Nieto European Journal of Medicinal Chemistry, 1990 , vol. 25, # 3 p. 257 - 265
Methyl 5-methoxy-1H-indole-2-carboxylate structure

Methyl 5-methox...

CAS#:67929-86-6

~98%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Coowar, Djalil; Bouissac, Julien; Hanbali, Mazen; Paschaki, Marie; Mohier, Eliane; Luu, Bang Journal of Medicinal Chemistry, 2004 , vol. 47, # 25 p. 6270 - 6282
m-Anisaldehyde structure

m-Anisaldehyde

CAS#:591-31-1

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Coowar, Djalil; Bouissac, Julien; Hanbali, Mazen; Paschaki, Marie; Mohier, Eliane; Luu, Bang Journal of Medicinal Chemistry, 2004 , vol. 47, # 25 p. 6270 - 6282
p-Anisidine structure

p-Anisidine

CAS#:104-94-9

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Bessard, Yves Organic Process Research and Development, 1998 , vol. 2, # 4 p. 214 - 220
4-methoxybenzenediazonium,chloride structure

4-methoxybenzen...

CAS#:4346-59-2

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Bessard, Yves Organic Process Research and Development, 1998 , vol. 2, # 4 p. 214 - 220
(E)-ETHYL 2-((4-METHOXYPHENYL)DIAZENYL)-2-METHYL-3-OXOBUTANOATE structure

(E)-ETHYL 2-((4...

CAS#:4792-56-7

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Bessard, Yves Organic Process Research and Development, 1998 , vol. 2, # 4 p. 214 - 220
(E)-ETHYL 2-(2-(4-METHOXYPHENYL)HYDRAZONO)PROPANOATE structure

(E)-ETHYL 2-(2-...

CAS#:4792-57-8

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Bessard, Yves Organic Process Research and Development, 1998 , vol. 2, # 4 p. 214 - 220
3-(5-methoxy-2-nitro-phenyl)-2-oxo-propanoic acid structure

3-(5-methoxy-2-...

CAS#:82204-34-0

~%

5-methoxyindole-2-carboxylic acid Structure

5-methoxyindole...

CAS#:4382-54-1

Literature: Blaikie; Perkin Journal of the Chemical Society, 1924 , vol. 125, p. 313

 Customs

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%

 Synonyms

5-methoxy-1H-indole-2-carboxylic acid
EINECS 224-487-6
MFCD00005614
5-methoxyindole-2-carboxylic acid
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