MCPB - CAS 94-81-5

Catalog:	BB060370
Product Name:	MCPB
CAS:	94-81-5
Synonyms:	NSC 102796; Thitrol; Trifolex; U46 MCPB; γ-MCPB; 4-(4-Chloro-2-methylphenoxy)butanoic Acid; (4-Chloro-o-tolyloxy)butyric Acid; 2,4-MCPB; 2-Methyl-4-chlorophenoxy-γ-butyrate; 2-Methyl-4-chlorophenoxy-γ-butyric Acid; 2-Methyl-4-chlorophenoxybutyric Acid; 2M4KhM; 4-(2-Methyl-4-chlorophenoxy)butyric Acid; 4-(4-Chloro-2-methylphenoxy)butyric Acid; 4-(4-Chlroro-2-methylphenoxy)butanoic Acid; 4-Chloro-2-methylphenoxybutyric Acid; 4MCPB

MCPB

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Computed Properties

IUPAC Name:	4-(4-chloro-2-methylphenoxy)butanoic acid
Description:	MCPB is used for research regarding herbicides to control weed in crop field.
Molecular Weight:	228.67
Molecular Formula:	C11H13ClO3
Canonical SMILES:	CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
InChI:	InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:	LLWADFLAOKUBDR-UHFFFAOYSA-N
Boiling Point:	>280 °C
Melting Point:	100 °C
Solubility:	Slightly sol in carbon tetrachloride or benzene
Appearance:	White solid;colorless crystals; (tech., Beige to brown flakes)
References:	Jin, Y., et.al. PCT Int. Appl., 80, (2021).

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