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395-35-7

Basic Information
CAS No.: 395-35-7
Name: Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)-
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 395-35-7 (Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)-)
Formula: C9H7F3O3
Molecular Weight: 220.148
Synonyms: Mandelicacid, 4-(trifluoromethyl)- (8CI);4-(Trifluoromethyl)mandelic acid;p-(Trifluoromethyl)mandelic acid;
EINECS: 206-900-1
Density: 1.481 g/cm3
Melting Point: 130-134 °C
Boiling Point: 324.2 °C at 760 mmHg
Flash Point: 149.8 °C
Solubility: N/A
Appearance: white to almost white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
Transport Information: N/A
PSA: 57.53000
LogP: 1.82340
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  • 4-(TRIFLUOROMETHYL)MANDELIC ACID

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    4-(TRIFLUOROMETHYL)MANDELIC ACID

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  • 4-(Trifluoromethyl)mandelic acid

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    395-35-7

    4-(Trifluoromethyl)mandelic acid

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    COA,H-NMR,HPLC availableWe have offices in Boston,MA,USAWe ship it in real nameMerck and Sigma are our customersPayment:Credit card/Net 30 daysWeb:www.alliconpharma.com Storage:Store in a cool, dry, well-ventilated area away from incompatible substan

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  • 2-Hydroxy-2-(4-(trifluoromethyl)phenyl)aceticacid

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    395-35-7

    2-Hydroxy-2-(4-(trifluoromethyl)phenyl)aceticacid

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    Comprehensive range product, High quality, Quick shippment, COA with spectras Package:1g Application:pharmaceutical industry, food industry, research

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  • 2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acid

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    2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acid

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  • 4-(Trifluoromethyl)mandelic acid

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    395-35-7

    4-(Trifluoromethyl)mandelic acid

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    High quality Products with prompt delivery Package:based on customer requirement Application:organic intermediates Transportation:By are or by sea Port:any port of China

    Wuhan Chemwish Technology Co., Ltd is one of China's leading chemical corporations, which can offer customers for more than 50,000 pharmaceutical intermediates. We have a dedicated

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Specification

The Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)-, with CAS registry number 395-35-7, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)C9; (3)Carbonyl Compounds; (4)Carboxylic Acids. It has the systematic name of hydroxy[4-(trifluoromethyl)phenyl]acetic acid. This chemical is a kind of white to almost white powder. And the chemical formula of this chemical is C9H7F3O3. What's more, its EINECS is 206-900-1.

Physical properties of Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -2.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 43.88 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 17.39×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.481 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000102 mmHg at 25°C.

Uses of Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)-: it can be used to produce 4-trifluoromethyl-benzaldehyde and 4-trifluoromethyl-benzoic acid. This reaction will need reagents O2, NaOH and solvents dimethylsulfoxide, H2O. The reaction time is 24 hour(s) with reaction temperature of 125 ℃. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
The Benzeneacetic acid, a-hydroxy-4-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C(O)C(=O)O
(2)InChI: InChI=1/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
(3)InChIKey: SDGXYUQKJPFLDG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
(5)Std. InChIKey: SDGXYUQKJPFLDG-UHFFFAOYSA-N