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Methyl 4-(Bromomethyl)-2,5-difluorobenzoate

Methyl 4-(Bromomethyl)-2,5-difluorobenzoate - CAS 1355488-72-0

Catalog:	BB008218
Product Name:	Methyl 4-(Bromomethyl)-2,5-difluorobenzoate
CAS:	1355488-72-0
Synonyms:	4-(bromomethyl)-2,5-difluorobenzoic acid methyl ester; methyl 4-(bromomethyl)-2,5-difluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-(bromomethyl)-2,5-difluorobenzoate
Description:	Methyl 4-(Bromomethyl)-2,5-difluorobenzoate (CAS# 1355488-72-0 ) is a useful research chemical.
Molecular Weight:	265.05
Molecular Formula:	C9H7BrF2O2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1F)CBr)F
InChI:	InChI=1S/C9H7BrF2O2/c1-14-9(13)6-3-7(11)5(4-10)2-8(6)12/h2-3H,4H2,1H3
InChI Key:	BUGNGBVWYRKVFF-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.64630

Publication Number	Title	Priority Date
CN-111132961-A	Bisaryloxy derivatives as TTX-S blockers	20170831
TW-201920107-A	Biaryloxy derivative as TTX-S blocker	20170831
WO-2019045035-A1	BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS	20170831
EP-3676248-A1	Biaryloxy derivatives as ttx-s blockers	20170831
JP-2020532507-A	Biaryloxy derivative as a TTX-S blocker	20170831

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[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:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.95975
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.95975
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5