[ CAS No. 713-57-5 ]

Name: 4-(Ethoxycarbonyl)benzoic acid
Brand: Ambeed
SKU: A148089
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2D3D

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Quality Control of [ 713-57-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 713-57-5 ]

SDS

Product Details of [ 713-57-5 ]

CAS No. :	713-57-5	MDL No. :	MFCD00496597
Formula :	C₁₀H₁₀O₄	Boiling Point :	342°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	194.18	Pubchem ID :	164720
Synonyms :

Computed Properties of [ 713-57-5 ]

TPSA :Topological Polar Surface Area	63.6	H-Bond Acceptor Count :	4
XLogP3 :	-	H-Bond Donor Count :	1
SP3 :	0.20	Rotatable Bond Count :	4

Safety of [ 713-57-5 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 713-57-5 ]

Downstream synthetic route of [ 713-57-5 ]

[ 713-57-5 ] Synthesis Path-Downstream 1~10

1
[ 51934-41-9 ]
[ 590-29-4 ]
[ 713-57-5 ]

Reference： [1]Journal of the American Chemical Society,2013,vol. 135,p. 2891 - 2894
[2]Organic Letters,2003,vol. 5,p. 4269 - 4272

2
[ 51934-41-9 ]
[ 141-53-7 ]
[ 713-57-5 ]

Reference： [1]Organic Letters,2003,vol. 5,p. 4269 - 4272

3
[ 51934-41-9 ]
[ 556-63-8 ]
[ 713-57-5 ]

Reference： [1]Organic Letters,2003,vol. 5,p. 4269 - 4272
[2]Tetrahedron,2007,vol. 63,p. 2519 - 2523

4
[ 636-09-9 ]
[ 713-57-5 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; barium dihydroxide; In ethanol;	EXAMPLE 11 Ethyl hydrogenterephthalate A soxlet extractor was charged with 3.83 g (0.022 mol) of anhydrous barium hydroxide and continuously extracted for 10 hours with hot ethanol into a refluxing mixture of 10 g (0.045 mmol) of diethyl terephthalate in 100 ml of absolute ethanol. The resultant white precipitate was filtered and then washed with ethanol. The precipitate was suspended in 100 ml ether and treated with excess dilute HCl. After extraction, the ether layer was separated and washed successively with water and saturated NaCl solution and then dried (MgSO4). The ether solution was filtered and the solvent removed in-vacuo. The resultant residue was recrystallized from acetonitrile to give the title compound as a white solid. PMR (CDCl3): delta1.40 (3H, t, J~7.0 Hz), 4.40 (2H, q, J~7.0 Hz), 8.10 (4H, s), 9.1 (1H, broad s).
	With hydrogenchloride; barium dihydroxide; In ethanol;	EXAMPLE 22 Ethyl hydrogenterephthalate Anhydrous barium hydroxide (3.83 g, 0.022 mol), was placed in a Soxhlet extractor and continuously extracted for 10 hours with hot ethanol into a refluxing mixture of 10 g (0.045 mol) of diethyl terephthalate in 100 ml of absolute ethanol. The resultant white precipitate was filtered and then washed with ethanol. The precipitate was suspended in 100 ml ether and treated with excess dilute HCl. After extraction, the ether layer was separated and washed successively with water and saturated NaCl solution and then dried (MgSO4). The ether solution was filtered and the solvent removed in-vacuo. The resultant residue was recrystallized from acetonitrile to give the title compound as a white solid. PMR (CDCl3): delta 1.40 (3H, t, J~7.0 Hz), 4.40 (2H, q, J~7.0 Hz), 8.10 (4H, s), 9.1 (1H, broad s).

Reference： [1]Synthetic Communications,2007,vol. 37,p. 483 - 490
[2]Inorganic Chemistry,2012,vol. 51,p. 4855 - 4861
[3]Annales Academiae Scientiarum Fennicae, Series A,1942,vol. 59,p. 5,6
[4]Journal of the Chemical Society,1918,vol. 113,p. 63
[5]Patent: US5015658,1991,A
[6]Patent: US5130335,1992,A

5
[ 6287-86-1 ]
air [ No CAS ]
[ 713-57-5 ]

Reference： [1]Chemische Berichte,1912,vol. 45,p. 1586

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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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H200	Unstable explosive
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 713-57-5 ]

Quality Control of [ 713-57-5 ]

Related Doc. of [ 713-57-5 ]

Product Details of [ 713-57-5 ]

Computed Properties of [ 713-57-5 ]

Safety of [ 713-57-5 ]

Application In Synthesis of [ 713-57-5 ]

[ 713-57-5 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 713-57-5 ]

Carboxylic Acids

Aryls

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 713-57-5 ]