188344
3-(Trifluoromethyl)benzoic acid
99%
Manufacturer: Sigma Aldrich
CAS Number: 454-92-2
Synonym(S): α,α,α-Trifluoro-m-toluic acid, 3-Carboxybenzotrifluoride
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 10 G | 188344-10-G | In Stock | ₹ 3,821.23 |
188344 - 10 G
In Stock
Quantity
1
Base Price: ₹ 3,821.23
GST (18%): ₹ 687.821
Total Price: ₹ 4,509.051
Quality Level
100
Assay
99%
form
solid
bp
238.5 °C/775 mmHg (lit.)
mp
104-106 °C (lit.)
SMILES string
OC(=O)c1cccc(c1)C(F)(F)F
InChI
1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI key
FQXQBFUUVCDIRK-UHFFFAOYSA-N
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Sigma Aldrich Fine Chemicals Biosciences 3-(Trifluoromethyl)benzoic acid 99% | 454-92-2 | MFCD00002519 | 10G | Sigma Aldrich Fine Chemicals Biosciences | ₹ 7,837.30 | |
 | m-(Trifluoromethyl)benzoic acid | ChemScene | ₹ 513.36 - ₹ 12,748.44 |
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Description
- General description: pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured[1]. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide[2].
SAFETY INFORMATION
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
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Quality Level: 100
Assay: 99%
form: solid
bp: 238.5 °C/775 mmHg (lit.)
mp: 104-106 °C (lit.)
SMILES string: OC(=O)c1cccc(c1)C(F)(F)F
InChI: 1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI key: FQXQBFUUVCDIRK-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
form:
solid
bp:
238.5 °C/775 mmHg (lit.)
mp:
104-106 °C (lit.)
SMILES string:
OC(=O)c1cccc(c1)C(F)(F)F
InChI:
1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI key:
FQXQBFUUVCDIRK-UHFFFAOYSA-N
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Quality Level: 100
Assay: 98%
form: solid
bp: __
mp: 250 °C (dec.) (lit.)
SMILES string: N.CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2
InChI: 1S/C10H16O4S.H3N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H3/t7-,10-;/m0./s1
InChI key: JTMZBRWRXFAITF-YUWZRIFDSA-N
Quality Level:
100
Assay:
98%
form:
solid
bp:
__
mp:
250 °C (dec.) (lit.)
SMILES string:
N.CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2
InChI:
1S/C10H16O4S.H3N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);1H3/t7-,10-;/m0./s1
InChI key:
JTMZBRWRXFAITF-YUWZRIFDSA-N