335614
3-Chloropropiophenone
98%
Manufacturer: Sigma Aldrich
CAS Number: 936-59-4
Synonym(S): β-Chloropropiophenone, 3-Chloro-1-phenyl-1-propanone
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 10 G | 335614-10-G | In Stock | ₹ 6,635.73 |
| 50 G | 335614-50-G | In Stock | ₹ 15,003.45 |
335614 - 10 G
In Stock
Quantity
1
Base Price: ₹ 6,635.73
GST (18%): ₹ 1,194.431
Total Price: ₹ 7,830.161
Quality Level
200
Assay
98%
form
solid
bp
113-115 °C/4 mmHg (lit.)
mp
48-50 °C (lit.)
SMILES string
ClCCC(=O)c1ccccc1
InChI
1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI key
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Description
- Application: 3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads.[1] It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol.[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
Show Difference
Quality Level: 200
Assay: 98%
form: solid
bp: 113-115 °C/4 mmHg (lit.)
mp: 48-50 °C (lit.)
SMILES string: ClCCC(=O)c1ccccc1
InChI: 1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Quality Level:
200
Assay:
98%
form:
solid
bp:
113-115 °C/4 mmHg (lit.)
mp:
48-50 °C (lit.)
SMILES string:
ClCCC(=O)c1ccccc1
InChI:
1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI key:
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Quality Level: __
Assay: 98%
form: powder
bp: __
mp: 195-200 °C (dec.)
SMILES string: OC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(O)=O)NC(=O)c2ccccc2
InChI: 1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t15-,16-/m0/s1
InChI key: GUTXMPQWQSOAIY-HOTGVXAUSA-N
Quality Level:
__
Assay:
98%
form:
powder
bp:
__
mp:
195-200 °C (dec.)
SMILES string:
OC(=O)[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(O)=O)NC(=O)c2ccccc2
InChI:
1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t15-,16-/m0/s1
InChI key:
GUTXMPQWQSOAIY-HOTGVXAUSA-N
Quality Level: 100
Assay: __
form: __
bp: __
mp: __
SMILES string: CC(C)(C)CC(C)(C)[13c]1[13cH][13cH][13c](OCCO)[13cH][13cH]1
InChI: __
InChI key: __
Quality Level:
100
Assay:
__
form:
__
bp:
__
mp:
__
SMILES string:
CC(C)(C)CC(C)(C)[13c]1[13cH][13cH][13c](OCCO)[13cH][13cH]1
InChI:
__
InChI key:
__
Quality Level: 100
Assay: __
form: __
bp: __
mp: __
SMILES string: O[13C]1=[13CH][13CH]=[13C](C(C)(C)CC(C)(C)C)[13CH]=[13CH]1
InChI: __
InChI key: __
Quality Level:
100
Assay:
__
form:
__
bp:
__
mp:
__
SMILES string:
O[13C]1=[13CH][13CH]=[13C](C(C)(C)CC(C)(C)C)[13CH]=[13CH]1
InChI:
__
InChI key:
__