2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene

• CAS: 146370-52-7
• Catalog Number: ACM146370527
• Category: Organic & Printed Electronics
• Molecular Weight: 333.3
• Molecular Formula: (ClCH2)2C6H2(OCH3)OCH2CH(C2H5)(CH2)3CH3
• Synonyms: 2,5-Bis(chloromethyl)-4-(2-ethylhexyloxy)anisole
• IUPAC Name: 1,4-Bis(chloromethyl)-2-(2-ethylhexoxy)-5-methoxybenzene
• Canonical SMILES: CCCCC(CC)COC1=CC(=C(C=C1CCl)OC)CCl
• InChI: InChI=1S/C17H26Cl2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3
• InChI Key: TXAVEVGYOGQVAN-UHFFFAOYSA-N
• Boiling Point: 421.6±40.0 °C/760mmHg (lit.)
• Flash Point: 131.0±27.4 °C
• Density: 1.1±0.1 g/cm³
• Solubility: Insoluble in water
• Appearance: Solid
• Application: Conducting polymer precursor.
• Storage: Sealed in dry,Room Temperature
• Assay: 0.98
• Complexity: 263
• Covalently-Bonded Unit Count: 1
• Exact Mass: 332.1309855
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 21
• MDL Number: MFCD03093939
• Monoisotopic Mass: 332.1309855
• Packaging: 1 g in glass bottle
• Quality Level: 100
• Refractive Index: n20/D 1.505 (lit.)
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 18.5 Ų
• XLogP3: 5.8

Custom Q&A

What is the molecular formula of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The molecular formula is C17H26Cl2O2.

What is the molecular weight of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The molecular weight is 333.3 g/mol.

What is the IUPAC name of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The IUPAC name is 1,4-bis(chloromethyl)-2-(2-ethylhexoxy)-5-methoxybenzene.

What is the InChI of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The InChI is InChI=1S/C17H26Cl2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3.

What is the InChIKey of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The InChIKey is TXAVEVGYOGQVAN-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The canonical SMILES is CCCCC(CC)COC1=CC(=C(C=C1CCl)OC)CCl.

What is the CAS number of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The CAS number is 146370-52-7.

What is the European Community (EC) number of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The European Community (EC) number is 621-072-5.

What is the XLogP3-AA value of 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene?

The XLogP3-AA value is 5.8.

How many rotatable bonds does 2,5-Bis(chloromethyl)-1-methoxy-4-(2-ethylhexyloxy)benzene have?

It has 10 rotatable bonds.