3-Acetylbenzoic acid

Modify Date: 2024-01-03 10:41:11

3-Acetylbenzoic acid structure	Common Name	3-Acetylbenzoic acid
	CAS Number	586-42-5	Molecular Weight	164.158
	Density	1.2±0.1 g/cm3	Boiling Point	342.8±25.0 °C at 760 mmHg
	Molecular Formula	C₉H₈O₃	Melting Point	163-171 °C
	MSDS	Chinese USA	Flash Point	175.3±19.7 °C

Name	3-Acetophenonecarboxylic Acid
Synonym	More Synonyms

Density	1.2±0.1 g/cm3
Boiling Point	342.8±25.0 °C at 760 mmHg
Melting Point	163-171 °C
Molecular Formula	C₉H₈O₃
Molecular Weight	164.158
Flash Point	175.3±19.7 °C
Exact Mass	164.047348
PSA	54.37000
LogP	1.56
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.561

3-Acetylbenzoic acid MSDS(Chinese)

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S37/39-S26
RIDADR	NONH for all modes of transport
HS Code	2918300090

3-Acetylbenzonitrile

CAS#:6136-68-1

~91%

3-Acetylbenzoic acid

CAS#:586-42-5

Literature: ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14881 A2, 2004 ; Location in patent: Page 138 ; WO 2004/014881 A2

3'-Methylacetop...

CAS#:585-74-0

~71%

3-Acetylbenzoic acid

CAS#:586-42-5

Literature: Nakamura, Ryota; Obora, Yasushi; Ishii, Yasutaka Advanced Synthesis and Catalysis, 2009 , vol. 351, # 10 p. 1677 - 1684

1,3-diacetylbenzene

CAS#:6781-42-6

~58%

3-Acetylbenzoic acid

CAS#:586-42-5

Literature: Zabjek, Alenka; Petric, Andrej Tetrahedron Letters, 1999 , vol. 40, # 33 p. 6077 - 6078

ketoprofen

CAS#:22071-15-4

3-Acetylbenzoic acid

CAS#:586-42-5

3-BENZOYLBENZOI...

CAS#:579-18-0

Literature: Journal of Mass Spectrometry, , vol. 46, # 4 p. 391 - 401

3-Acetylbenzophenone

CAS#:66067-44-5

3-Acetylbenzoic acid

CAS#:586-42-5

3-BENZOYLBENZOI...

CAS#:579-18-0

Literature: Journal of Mass Spectrometry, , vol. 46, # 4 p. 391 - 401

Dimethyl isopht...

CAS#:1459-93-4

ethyl acetate

CAS#:141-78-6

Isophthalic acid

CAS#:121-91-5

1,3-diacetylbenzene

CAS#:6781-42-6

Detail

Literature: Liebigs Annalen der Chemie, , # 6 p. 641 - 644

Precursor 7
CAS#:6136-68-1 3-Acetylbenzonitrile CAS#:585-74-0 3'-Methylacetop... CAS#:6781-42-6 1,3-diacetylbenzene CAS#:22071-15-4 ketoprofen
CAS#:66067-44-5 3-Acetylbenzophenone CAS#:1459-93-4 Dimethyl isopht... CAS#:141-78-6 ethyl acetate
DownStream 8
CAS#:37847-24-8 Ethyl 3-acetylb... CAS#:283608-37-7 3-(1-HYDROXY-ET... CAS#:21860-07-1 Methyl 3-acetyl... CAS#:31076-85-4 Benzoyl chlorid...
CAS#:317829-73-5 tert-butyl 3-ac... CAS#:13110-96-8 5-Acetylsalicyl... CAS#:27475-19-0 Methyl 3-(bromo... CAS#:62423-73-8 3-(2-Bromoacety...

HS Code	2918300090
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Synthesis, SAR study and biological evaluation of novel pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as anti-proliferative agents.

Bioorg. Med. Chem. 17(5) , 2091-100, (2009)

Checkpoint deficiency of malignant cells can be exploited in cancer drug discovery. Compounds that selectively kill checkpoint-deficient cells versus checkpoint-proficient cells can be utilized to pre...

Evaluation of the NO-releasing properties of NO-donor linkers.

J. Pharm. Pharmacol. 60(2) , 189-95, (2008)

This work describes the synthesis of some benzoic (1-4) and alcoholic (5-7) nitrooxy derivatives, which are nitric oxide (NO) donors in themselves, and can also be seen as useful linkers that can be u...

Benzoic acid, 3-acetyl-

3-Acetylbenzoic acid

MFCD00045847