Methyl 4-(trifluoromethyl)benzoate - CAS 2967-66-0

Name: Methyl 4-(trifluoromethyl)benzoate
Brand: BOC Sciences
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Catalog:	BB020266
Product Name:	Methyl 4-(trifluoromethyl)benzoate
CAS:	2967-66-0
Synonyms:	methyl 4-(trifluoromethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(trifluoromethyl)benzoate
Description:	Methyl 4-(trifluoromethyl)benzoate (CAS# 2967-66-0) is a useful research chemical.
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI:	InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChI Key:	VAZWXPJOOFSNLB-UHFFFAOYSA-N
Boiling Point:	94-95 °C (21 mmHg)
Melting Point:	13-14 °C
Purity:	98 %
Density:	1.268 g/cm³
Appearance:	Clear colorless to very pale yellow liquid
MDL:	MFCD00042324
LogP:	2.49200

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.03981395
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.03981395
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2