349666
2-Phenylbutyryl chloride
98%
Manufacturer: Sigma Aldrich
CAS Number: 36854-57-6
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5 ML | 349666-5-ML | In Stock | ₹ 2,652.13 |
349666 - 5 ML
In Stock
Quantity
1
Base Price: ₹ 2,652.13
GST (18%): ₹ 477.383
Total Price: ₹ 3,129.513
Quality Level
100
Assay
98%
form
liquid
refractive index
n20/D 1.516 (lit.)
bp
122-125 °C/20 mmHg (lit.)
density
1.093 g/mL at 25 °C (lit.)
SMILES string
CCC(C(Cl)=O)c1ccccc1
InChI
1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI key
QGXMHCMPIAYMGT-UHFFFAOYSA-N
Description
- General description: The kinetic resolution of racemic 2-phenylbutyryl chloride by sterically hindered chiral secondary alcohols has been evaluated.[1] 2-Phenylbutyryl chloride reacts with 4-methoxybenzoyl chloride catalyzed by PdBr(Ph)(PPh3)2 to yield 1-(4-methoxyphenyl)-2-phenyl-2-buten-1-one.[2]
- Application: (R)-(-)-2-phenylbutyryl chloride may be employed as chiral reagent for the determination of dopamine and dopamine-derived salsolinol and norsalsolinol in human brain by GC-MS method.[3] Chiral (S)-(+)-2-phenylbutyryl chloride may be used as derivatization reagent for the hydroxyl groups during the GC-MS assay for the enantiomers of 1,2-propanediol, 1,3-butanediol, 1,3-pentanediol and their corresponding hydroxyacids in biological fluids.[4]
SAFETY INFORMATION
Pictograms
Signal Word
Danger
Hazard Statements
Precautionary Statements
P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
Hazard Classifications
Skin Corr. 1B
WGK
WGK 3
Flash Point(F)
208.4 °F
Flash Point(C)
98 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 98%
form: liquid
refractive index: n20/D 1.516 (lit.)
bp: 122-125 °C/20 mmHg (lit.)
density: 1.093 g/mL at 25 °C (lit.)
SMILES string: CCC(C(Cl)=O)c1ccccc1
InChI: 1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI key: QGXMHCMPIAYMGT-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
form:
liquid
refractive index:
n20/D 1.516 (lit.)
bp:
122-125 °C/20 mmHg (lit.)
density:
1.093 g/mL at 25 °C (lit.)
SMILES string:
CCC(C(Cl)=O)c1ccccc1
InChI:
1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI key:
QGXMHCMPIAYMGT-UHFFFAOYSA-N
Quality Level: 100
Assay: 99%
form: liquid
refractive index: n20/D 1.472 (lit.)
bp: 141-142 °C/20 mmHg (lit.)
density: 1.145 g/mL at 25 °C (lit.)
SMILES string: COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC
InChI: 1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChI key: DVVAGRMJGUQHLI-OCAPTIKFSA-N
Quality Level:
100
Assay:
99%
form:
liquid
refractive index:
n20/D 1.472 (lit.)
bp:
141-142 °C/20 mmHg (lit.)
density:
1.145 g/mL at 25 °C (lit.)
SMILES string:
COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC
InChI:
1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChI key:
DVVAGRMJGUQHLI-OCAPTIKFSA-N
Quality Level: 100
Assay: 98%
form: __
refractive index: __
bp: __
density: __
SMILES string: [Br-].OC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
InChI: 1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChI key: NKVJKVMGJABKHV-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
form:
__
refractive index:
__
bp:
__
density:
__
SMILES string:
[Br-].OC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
InChI:
1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChI key:
NKVJKVMGJABKHV-UHFFFAOYSA-N
Quality Level: 100
Assay: 99%
form: powder
refractive index: __
bp: __
density: __
SMILES string: COc1cccc(CCC(O)=O)c1
InChI: 1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI key: BJJQJLOZWBZEGA-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
form:
powder
refractive index:
__
bp:
__
density:
__
SMILES string:
COc1cccc(CCC(O)=O)c1
InChI:
1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI key:
BJJQJLOZWBZEGA-UHFFFAOYSA-N