4,4'-Methylenebis[2-chlorophenol] - CAS 2787-77-1

Catalog:	BB058981
Product Name:	4,4'-Methylenebis[2-chlorophenol]
CAS:	2787-77-1
Synonyms:	2- Chloro- 4- [(3- chloro- 4- hydroxyphenyl) methyl] phenol

Technical Data

IUPAC Name:	2-chloro-4-[(3-chloro-4-hydroxyphenyl)methyl]phenol
Description:	4,4'-Methylenebis[2-chlorophenol] is used in the manufacture of fire-resistant polyester material and is used in the synthesis of photo-sensitive print plates.
Molecular Weight:	269.12
Molecular Formula:	C13H10Cl2O2
Canonical SMILES:	C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)Cl)Cl)O
InChI:	InChI=1S/C13H10Cl2O2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7,16-17H,5H2
InChI Key:	YWRDGHPJNOGFFM-UHFFFAOYSA-N
Melting Point:	102-103°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Brown Solid
Storage:	-20°C
References:	Yu, S. et al. Faming Zhuanli Shenqing (2009), CN 101597219 A 20091209..

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.0057849
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	268.0057849
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4