ChemicalBook > CAS DataBase List > NISTC5651478

NISTC5651478

Product Name
NISTC5651478
CAS No.
5651-47-8
Chemical Name
NISTC5651478
Synonyms
m-Cumic acid;NISTC5651478;m-Cuminic acid;3-(Prop-2-yl)benzoic acid;3-propan-2-ylbenzoic acid;3-(1-Methylethyl)benzoic acid;Benzoic acid, 3-(1-methylethyl)-;3-(Prop-2-yl)benzoic acid, 1-Carboxy-3-isopropylbenzene
CBNumber
CB01249457
Molecular Formula
C10H12O2
Formula Weight
164.2
MOL File
5651-47-8.mol
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NISTC5651478 Property

Melting point:
51.55°C
Boiling point:
288.61°C (estimate)
Density 
1.0670 (estimate)
refractive index 
1.5198 (estimate)
storage temp. 
Sealed in dry,Room Temperature
form 
solid
pka
4.24±0.10(Predicted)
color 
Off white
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
I824468
Product name
3-Isopropylbenzoicacid
Packaging
250mg
Price
$55
Updated
2021/12/16
Matrix Scientific
Product number
101217
Product name
3-Isopropylbenzoic acid
Packaging
1g
Price
$24
Updated
2021/12/16
AK Scientific
Product number
J97975
Product name
3-(1-Methylethyl)benzoicacid
Packaging
25g
Price
$245
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0372496
Product name
3-ISOPROPYLBENZOIC ACID
Purity
95.00%
Packaging
5MG
Price
$495.32
Updated
2021/12/16
Alichem
Product number
5651478
Product name
3-Isopropylbenzoicacid
Packaging
500mg
Price
$999.6
Updated
2021/12/16
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NISTC5651478 Chemical Properties,Usage,Production

Synthesis

5433-01-2

124-38-9

5651-47-8

Synthesis of 3-isopropylbenzoic acid (Method A): 1. In a dry reaction flask, 1-bromo-3-isopropylbenzene (1.24 g, 6.23 mmol) and anhydrous THF (18 mL) were added. 2. add magnesium filament (0.151 g, 6.23 mmol, 1 eq.) and heat the mixture to 50-60°C until the magnesium is completely dissolved to form Grignard reagent. 3. An excess of solid carbon dioxide (CO2) was added to the reaction system and the reaction was continued for 40 minutes. 4. Upon completion of the reaction, the reaction mixture was acidified with 1 M aqueous hydrochloric acid to pH<3. 5. The products were extracted with dichloromethane (DCM) and the organic phases were combined. 6. The organic phase was dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure to afford the target product 3-isopropylbenzoic acid as a white solid (1.07 g, quantitative yield). 7. The product was characterized by 1H-NMR (CDCl3) δ (ppm) 8.00 (s, 1H), 7.95 (d, 1H), 7.49 (d, 1H), 7.41 (t, 1H), 3.00 (m, 1H), 1.30 (d, 6H).

References

[1] Patent: WO2007/75896, 2007, A2. Location in patent: Page/Page column 125-126
[2] Patent: WO2006/40568, 2006, A1. Location in patent: Page/Page column 73
[3] Journal of Organic Chemistry, 1972, vol. 37, # 1, p. 126 - 131
[4] Angewandte Chemie - International Edition, 2012, vol. 51, # 3, p. 794 - 797

NISTC5651478 Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from NISTC5651478 manufacturers

Nanjing jinheyou Trading Co., Ltd.
Product
NISTC5651478 5651-47-8
Price
US $0.00/g
Min. Order
1g
Purity
95%min
Supply Ability
20kg/month
Release date
2019-12-25

5651-47-8, NISTC5651478Related Search:

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  • NISTC5651478
  • 3-(1-Methylethyl)benzoic acid
  • m-Cumic acid
  • m-Cuminic acid
  • 3-propan-2-ylbenzoic acid
  • 3-(Prop-2-yl)benzoic acid, 1-Carboxy-3-isopropylbenzene
  • 3-(Prop-2-yl)benzoic acid
  • Benzoic acid, 3-(1-methylethyl)-
  • 5651-47-8