Methyl 4-Bromo-2-(trifluoromethyl)benzoate - CAS 957207-58-8

Catalog:	BB059909
Product Name:	Methyl 4-Bromo-2-(trifluoromethyl)benzoate
CAS:	957207-58-8
Synonyms:	METHYL 4-BROMO-2-(TRIFLUOROMETHYL)BENZOATE; 4-Bromo-2-(trifluoromethyl)benzoic acid methyl ester; Methyl4-bromo-2-(trifluoromethyl)benzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-bromo-2-(trifluoromethyl)benzoate
Description:	methyl 4-bromo-2-(trifluoromethyl)benzoate (cas# 957207-58-8) is a useful research chemical.
Molecular Weight:	283.04
Molecular Formula:	C9H6BrF3O2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F
InChI:	InChI=1S/C9H6BrF3O2/c1-15-8(14)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3
InChI Key:	PFBLWQAOLPCMIJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020263703-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626
AU-2020302711-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626
CA-3144058-A1	Enhancement of nucleic acid polymerization by aromatic compounds	20190626
CN-114144520-A	Enhanced nucleic acid polymerization by aromatic compounds	20190626
CN-110563720-A	Sulfonamide compound, preparation method and medical application thereof	20180606
BR-112019019192-A2	molecules having pesticidal utility, and intermediates, compositions, and processes related to them	20170331
JP-2020515608-A	Molecules with pesticidal utility, and intermediates, compositions, and processes related thereto	20170331
TW-201837016-A	Molecules with insecticidal effects, and related intermediates, compositions and methods	20170331
US-10638756-B2	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20170331
US-2018279612-A1	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20170331

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.95033
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.95033
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4