Molecule structure of 1H-Indole-3-acetic acid, 4-chloro- (CAS NO.2519-61-1):
IUPAC Name: 2-(4-Chloro-1H-indol-3-yl)acetic acid
Molecular Weight: 209.62902 g/mol
Molecular Formula: C10H8ClNO2
Density: 1.483 g/cm3
Boiling Point: 445.6 °C at 760 mmHg
Flash Point: 223.3 °C
Index of Refraction: 1.698
Molar Refractivity: 54.53 cm3
Molar Volume: 141.2 cm3
Polarizability: 21.62×10-24 cm3
Surface Tension: 67.5 dyne/cm
Enthalpy of Vaporization: 74.15 kJ/mol
Vapour Pressure: 1.01E-08 mmHg at 25 °C
Storage Temp.: −20 °C
XLogP3-AA: 2.1
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 209.024356
MonoIsotopic Mass: 209.024356
Topological Polar Surface Area: 53.1
Heavy Atom Count: 14
Complexity: 234
Canonical SMILES: C1=CC2=C(C(=C1)Cl)C(=CN2)CC(=O)O
InChI: InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKey: WNCFBCKZRJDRKZ-UHFFFAOYSA-N
1H-Indole-3-acetic acid, 4-chloro- (CAS NO.2519-61-1) is found in the seeds of a variety of plants, particularly legumes such as peas and broad beans.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16: Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
1H-Indole-3-acetic acid, 4-chloro- (CAS NO.2519-61-1) is also named as 4-Chloroindole-3-acetic acid ; 4-Chloroindole-3-acetate ; 4-Cl-Iaa . 1H-Indole-3-acetic acid, 4-chloro- (CAS NO.2519-61-1) is a natural plant hormone.
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