1H-Indole-3-carboxylic acid

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Names

[ CAS No. ]:
771-50-6

[ Name ]:
1H-Indole-3-carboxylic acid

[Synonym ]:
3-Indolylcarboxylic acid
EINECS 212-231-6
Indole-3-carboxylic acid
Indole-3-carboxylicacid
1H-Indole-3-carboxylic acid
MFCD00005624
Indole-3-carboxylic_acid
3-Indoleformic acid
3-Indolecarboxylic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
419.6±18.0 °C at 760 mmHg

[ Melting Point ]:
232-234 °C (dec.)(lit.)

[ Molecular Formula ]:
C₉H₇NO₂

[ Molecular Weight ]:
161.157

[ Flash Point ]:
207.6±21.2 °C

[ Exact Mass ]:
161.047684

[ PSA ]:
53.09000

[ LogP ]:
1.99

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.726

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R21/22;R36/37/38

[ Safety Phrases ]:
S22-S24/25-S36/37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NK7882892

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Indole
Carbon dioxide
3-Cyanoindole
1-acetylindole-3-carboxylic acid
Ketone, indol-3-yl-trifluoromethyl-
Methyl 3-indolecarboxylate
Indole-3-carboxaldehyde
Potassium hydrogen carbonate
Trifluoroacetic anhydride
1H-Indole-3-carboxaldehyde,oxime

DownStream

1-Methyl-1H-indole-3-carboxylic acid
Methyl 3-indolecarboxylate
Methyl 1-methyl-1H-indole-3-carboxylate
3-Indolinecarboxylic acid
Indole-3-carboxaldehyde
N-Methoxy-N-methyl-1H-indole-3-carboxamide
1-Methylindole
1H-indol-3-yl(piperidin-1-yl)methanone
Anthranilic acid
Indigo

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%

Articles

QSAR study on permeability of hydrophobic compounds with artificial membranes.

Bioorg. Med. Chem. 15 , 3756-67, (2007)

We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of...

Isolation and characterization of products from the nitrosation of the alkaloid gramine.

Food Chem. Toxicol. 23(9) , 841-7, (1985)

The nitrosation of gramine, a tertiary amine alkaloid present in barley malt, was carried out by reaction with sodium nitrite in buffered acetic acid (pH 3.4) for 1 hr at room temperature. Two major n...

Total synthesis of kottamide E.

Chem. Commun. (Camb.) 49(23) , 2296-8, (2013)

The first synthesis of kottamide E, a marine natural product containing a 5,6-dibromoindole linked via a (Z)-enamide to an unusual 1,2-dithiolane-containing amino acid, is reported.

1H-Indole-3-carboxylic acid amide
4-iodo-1H-indole-3-carboxylic acid
5-Iodo-1H-indole-3-carboxylic acid
4-bromo1H-indole-3-carboxylic acid
4-cyano-1H-indole-3-carboxylic acid
6-Cyano-1H-indole-3-carboxylic acid
Methyl (S)-2-amino-3-(4-methoxy-2-methylphenyl)propanoate
N-(2-Chloro-6-fluorophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
2-((tert-Butoxycarbonyl)amino)-3-(3-chloro-2,6-difluorophenyl)propanoic acid
(OC-6-22)-(11,12-Dimethyldipyrido[3,2-a:2 inverted exclamation marka,3 inverted exclamation marka-c]phenazine-|EN4,|EN5)bis(1,10-phenanthroline-|EN1,|EN10)ruthenium Chloride
(R)-1-(2-Bromo-4-(trifluoromethyl)phenyl)-2-methoxyethan-1-amine
Ethanedioic acid, europium(3+) yttrium(3+) salt (1:x:x)
(E)-3-((4R)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidin-2-yl)acrylic acid
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluoro-6-hydroxyphenyl)propanoic acid
(1S,2R)-1-Amino-1-(quinolin-4-yl)propan-2-ol
4-Bromo-5-ethyl-1-fluoro-2-naphthalenol

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