1H-Indole-2-carboxylicacid, 3-bromo- supplier

Name
3-BROMOINDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 28737-33-9
Article Data5
CAS DataBase
Density 1.838 g/cm³
Solubility
Melting Point 185-188 °C
Formula C₉H₆BrNO₂
Boiling Point 452.081 °C at 760 mmHg
Molecular Weight 240.05
Flash Point 227.211 °C
Transport Information
Appearance Pinkish-beige crystalline powder
Safety 36/37/39-26
Risk Codes 36/37/38-21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Indole-2-carboxylicacid, 3-bromo- (6CI,8CI);3-Bromoindole-2-carboxylic acid;
PSA 53.09000
LogP 2.62860

1H-Indole-2-carboxylicacid, 3-bromo- Specification

The 1H-Indole-2-carboxylicacid, 3-bromo-, with the CAS registry number 28737-33-9, is also known as 3-Bromoindole-2-carboxylic acid. This chemical's molecular formula is C₉H₆BrNO₂ and molecular weight is 240.05. Its IUPAC name is called 3-bromo-1H-indole-2-carboxylic acid. The product should be sealed and stored in cool and dry place.

Physical properties of 1H-Indole-2-carboxylicacid, 3-bromo-: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 0.328; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.757; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.749; (11)Molar Refractivity: 53.149 cm³; (12)Molar Volume: 130.586 cm³; (13)Surface Tension: 74.255 dyne/cm; (14)Density: 1.838 g/cm³; (15)Flash Point: 227.211 °C; (16)Enthalpy of Vaporization: 74.95 kJ/mol; (17)Boiling Point: 452.081 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful. It is irritating to eyes, respiratory system and skin. 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Br
(2)InChI: InChI=1S/C9H6BrNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
(3)InChIKey: KOTZNHLNBDTYMS-UHFFFAOYSA-N

Product Name

3-BROMOINDOLE-2-CARBOXYLIC ACID

1H-Indole-2-carboxylicacid, 3-bromo- Specification

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