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| CAS No.: | 18474-60-7 |
|---|---|
| Name: | 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C10H9NO2 |
| Molecular Weight: | 175.187 |
| Synonyms: | 7-Methylindole-2-carboxylic acid;Indole-2-carboxylicacid, 7-methyl- (6CI,8CI);7-Methyl-1H-indole-2-carboxylic acid; |
| Density: | 1.34 g/cm3 |
| Melting Point: | 169-175 °C |
| Boiling Point: | 413.3 °C at 760 mmHg |
| Flash Point: | 203.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 53.09000 |
| LogP: | 2.17450 |
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Specification
The 1H-Indole-2-carboxylicacid, 7-methyl-, with the CAS registry number 18474-60-7, is also known as 7-Methylindole-2-carboxylic acid. It belongs to the product categories of Indoles and Derivatives; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.184. Its systematic name is called 7-methyl-1H-indole-2-carboxylic acid.
Physical properties of 1H-Indole-2-carboxylicacid, 7-methyl-: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 5.01; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 51.14; (7)ACD/KOC (pH 7.4): 1.22; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 50.28 cm3; (13)Molar Volume: 130.6 cm3; (14)Surface Tension: 64.6 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 203.8 °C; (17)Enthalpy of Vaporization: 70.23 kJ/mol; (18)Boiling Point: 413.3 °C at 760 mmHg; (19)Vapour Pressure: 1.43E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1cccc(c1n2)C
(2)InChI: InChI=1/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: OLNYNTKNRVFVBI-UHFFFAOYAD