CAS No.16851-56-2,INDOLINE-2-CARBOXYLIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16851-56-2
Name:	INDOLINE-2-CARBOXYLIC ACID
Article Data:	15

Formula:	C₉H₉NO₂
Molecular Weight:	163.176
Synonyms:	(?à)-2,3-Dihydroindole-2-carboxylicacid;(?à)-Indoline-2-carboxylic acid;2,3-Dihydroindole-2-carboxylic acid;
EINECS:	240-875-8
Density:	1.286 g/cm³
Melting Point:	177 °C (dec.)(lit.)
Boiling Point:	380 °C at 760 mmHg
Flash Point:	183.6 °C
Hazard Symbols:	Xn
Risk Codes:	43-48/22-62
Safety:	22-36/37
PSA:	49.33000
LogP:	1.24580

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Specification

The 1H-Indole-2-carboxylicacid, 2,3-dihydro-, with CAS registry number 16851-56-2, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Carboxes; (4)Indoles Oxindoles; (5)Indoles and derivatives; (6)Organic acids. It has the systematic name of 2,3-dihydro-1H-indole-2-carboxylic acid. And the chemical formula of this chemical is C₉H₉NO₂. What's more, its EINECS is 278-899-6.

Physical properties of 1H-Indole-2-carboxylicacid, 2,3-dihydro-: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -2.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 43.27 cm³; (15)Molar Volume: 126.8 cm³; (16)Polarizability: 17.15×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 183.6 °C; (20)Enthalpy of Vaporization: 66.26 kJ/mol; (21)Boiling Point: 380 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indole-2-carboxylicacid, 2,3-dihydro- may cause sensitization by skin contact. This chemical has danger of serious damage to health by prolonged exposure. And it has risk of impaired fertility, so do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2Nc1ccccc1C2
(2)InChI: InChI=1/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(3)InChIKey: QNRXNRGSOJZINA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
(5)Std. InChIKey: QNRXNRGSOJZINA-UHFFFAOYSA-N