CAS No.5059-30-3,2-CHLORO-1H-INDOLE-3-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5059-30-3
Name:	2-CHLORO-1H-INDOLE-3-CARBALDEHYDE
Article Data:	42

Formula:	C₉H₅ClNO
Molecular Weight:	179.606
Synonyms:	Indole-3-carboxaldehyde,2-chloro- (7CI,8CI);2-Chloro-1H-indole-3-carboxaldehyde;2-Chloro-3-formylindole;2-Chloroindole-3-carbaldehyde;2-Chloroindole-3-carboxaldehyde;NSC 234522;
Density:	1.431 g/cm³
Melting Point:	ca 212℃
Boiling Point:	364.7 °C at 760 mmHg
Flash Point:	174.3 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	32.86000
LogP:	2.63380

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Specification

The IUPAC name of 2-Chloro-1H-indole-3-carbaldehyde is 2-Chloro-1H-indole-3-carbaldehyde. With the CAS registry number 5059-30-3, it is also named as 1H-Indole-3-carboxaldehyde,2-chloro-. The product's categories are aldehydes, pyrroles & indoles. Besides, its molecular formula is C₉H₅ClNO and its molecular weight is 178.59.

The other characteristics of 2-Chloro-1H-indole-3-carbaldehyde can be summarized as: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)XLogP3-AA: 2.5; (4)H bond acceptors: 2; (5)H bond donors: 1; (6)Freely Rotating Bonds: 1; (7)Rotatable Bond Count: 1; (8)Tautomer Count: 3; (9)Exact Mass: 179.013792; (10)MonoIsotopic Mass: 179.013792; (11)Heavy Atom Count: 12; (12)Complexity: 185; (13)Polar Surface Area: 22 Å²; (14)Index of Refraction: 1.731; (15)Molar Refractivity: 50.17 cm³; (16)Molar Volume: 125.4 cm3; (17)Polarizability: 19.89×10^-24cm³; (18)Surface Tension: 61.6 dyne/cm; (19)Density: 1.431 g/cm³; (20)Flash Point: 174.3 °C; (21)Enthalpy of Vaporization: 61.09 kJ/mol; (22)Boiling Point: 364.7 °C at 760 mmHg; (23)Vapour Pressure: 1.66E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 2-Chloro-1H-indole-3-carbaldehyde is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc2c1ccccc1nc2Cl
(2)InChI:InChI=1/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
(3)InChIKey:XYSSNBNFOBVMAU-UHFFFAOYAS
(4)Std. InChI:InChI=1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
(5)Std. InChIKey:XYSSNBNFOBVMAU-UHFFFAOYSA-N