Methyl 4-(Chloromethyl)benzoate - CAS 34040-64-7

Catalog:	BB021943
Product Name:	Methyl 4-(Chloromethyl)benzoate
CAS:	34040-64-7
Synonyms:	4-(chloromethyl)benzoic acid methyl ester; methyl 4-(chloromethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(chloromethyl)benzoate
Description:	Methyl 4-(Chloromethyl)benzoate (CAS# 34040-64-7) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)CCl
InChI:	InChI=1S/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChI Key:	SATDLKYRVXFXRE-UHFFFAOYSA-N
Boiling Point:	160 °C (30 torr)
Density:	1.19 g/cm³
MDL:	MFCD00511224
LogP:	2.21200

Publication Number	Title	Priority Date
CN-113292474-A	Fluorescent probe for simultaneously detecting mitochondrial membrane potential and quality through flow cytometer and synthetic method thereof	20210525
CN-113372215-A	Novel esterification method for synthesizing p-halomethyl benzoate	20210520
CN-111848629-A	mTOR/HDAC dual inhibitor and application thereof	20200715
CN-111848629-B	mTOR/HDAC dual inhibitor and application thereof	20200715
CN-111848467-A	Preparation method of asymmetric organic persulfate compound	20200707

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7