4-Methylphthalic Anhydride - CAS 19438-61-0

Catalog:	BB015061
Product Name:	4-Methylphthalic Anhydride
CAS:	19438-61-0
Synonyms:	5-methylisobenzofuran-1,3-dione; 5-methyl-2-benzofuran-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-2-benzofuran-1,3-dione
Description:	4-Methylphthalic Anhydride (CAS# 19438-61-0) is a useful research chemical.
Molecular Weight:	162.14
Molecular Formula:	C9H6O3
Canonical SMILES:	CC1=CC2=C(C=C1)C(=O)OC2=O
InChI:	InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3
InChI Key:	ZOXBWJMCXHTKNU-UHFFFAOYSA-N
Boiling Point:	295 °C at 760 mmHg
Density:	1.364 g/cm³
Appearance:	Off-white to tan chips
MDL:	MFCD00041856
LogP:	1.30560

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.031694049
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7