Methyl 4-(Bromomethyl)-3-fluorobenzoate - CAS 128577-47-9

Catalog:	BB006911
Product Name:	Methyl 4-(Bromomethyl)-3-fluorobenzoate
CAS:	128577-47-9
Synonyms:	4-(bromomethyl)-3-fluorobenzoic acid methyl ester; methyl 4-(bromomethyl)-3-fluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-(bromomethyl)-3-fluorobenzoate
Description:	Methyl 4-(Bromomethyl)-3-fluorobenzoate (CAS# 128577-47-9) is a useful research chemical.
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)CBr)F
InChI:	InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3
InChI Key:	OJBQAHZJVDWSFD-UHFFFAOYSA-N
Boiling Point:	295.113 °C at 760 mmHg
Density:	1.534 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.50720

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P280, P285, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P342+P311, P363, P405, and P501
Signal Word:	Danger

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4