CAS No.39891-12-8,5-BROMO-3-PYRIDYLACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39891-12-8
Name:	5-BROMO-3-PYRIDYLACETIC ACID

Formula:	C₇H₆BrNO₂
Molecular Weight:	216.034
Synonyms:	(5-Bromopyridin-3-yl)aceticacid;5-Bromo-3-pyridineacetic acid;5-Bromo-3-pyridylacetic acid;
EINECS:	-0
Density:	1.71 g/cm³
Melting Point:	182-185 °C
Boiling Point:	349.9 °C at 760 mmHg
Flash Point:	165.4 °C
Solubility:	Soluble in water.
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	50.19000
LogP:	1.47120

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Specification

The 3-Pyridineacetic acid,5-bromo- is an organic compound with the formula C₇H₆BrNO₂. The systematic name of this chemical is (5-bromopyridin-3-yl)acetic acid. With the CAS registry number 39891-12-8, it is also named as 2-(5-bromo-3-pyridyl)acetic acid.

Physical properties about 3-Pyridineacetic acid,5-bromo- are: (1)ACD/LogP: 1.04; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.02; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 39.19 Å²; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 43.14 cm³; (12)Molar Volume: 126.2 cm³; (13)Polarizability: 17.1×10^-24cm³; (14)Surface Tension: 59.2 dyne/cm; (15)Density: 1.71 g/cm³; (16)Flash Point: 165.4 °C; (17)Enthalpy of Vaporization: 62.73 kJ/mol; (18)Boiling Point: 349.9 °C at 760 mmHg; (19)Vapour Pressure: 1.7E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cnc1)CC(=O)O
(2)InChI: InChI=1/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
(3)InChIKey: UETIDNDXXGCJCE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
(5)Std. InChIKey: UETIDNDXXGCJCE-UHFFFAOYSA-N