Cas no 1780-48-9 (Benzenepropanenitrile, b-oxo-a-propyl-)
1780-48-9 structure
Product Name:Benzenepropanenitrile, b-oxo-a-propyl-
CAS No:1780-48-9
MF:C12H13NO
MW:187.237723112106
CID:118073
PubChem ID:2761355
Update Time:2025-04-18
Benzenepropanenitrile, b-oxo-a-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile, b-oxo-a-propyl-
- 2-benzoylpentanenitrile
- 2-BENZOYLVALERONITRILE
- (+-)-3-Oxo-2-propyl-3-phenyl-propionitril
- (+-)-3-Oxo-2-propyl-3-phenyl-propionsaeure-nitril
- 1-Benzoyl-1-cyan-butan
- 2-(phenylcarbonyl)pentanenitrile
- 2-Propylbenzoyl-acetonitril
- Benzenepropanenitrile,b-oxo-a-propyl
- MFCD06658100
- J-011355
- FT-0633835
- AKOS006294603
- DTXSID80375723
- 1780-48-9
- A812340
-
- MDL： MFCD06658100
- Inchi： 1S/C12H13NO/c1-2-6-11(9-13)12(14)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3
- InChI Key： CHOBBVMFOFGSBL-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C#N)CCC
Computed Properties
- Exact Mass: 187.10000
- Monoisotopic Mass: 187.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 1.035
- Boiling Point: 327°C at 760 mmHg
- Flash Point: 151.6°C
- Refractive Index: 1.517
- PSA: 40.86000
- LogP: 2.80918
Benzenepropanenitrile, b-oxo-a-propyl- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzenepropanenitrile, b-oxo-a-propyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A341790-1g |
2-Benzoylpentanenitrile |
1780-48-9 | 97% | 1g |
$678.0 | 2024-04-22 | |
| Crysdot LLC | CD12131671-250mg |
2-Benzoylpentanenitrile |
1780-48-9 | 97% | 250mg |
$336 | 2024-07-24 |
Benzenepropanenitrile, b-oxo-a-propyl- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
1780-48-9 (Benzenepropanenitrile, b-oxo-a-propyl-) Related Products
- 100869-93-0(Heptanedinitrile, 4-benzoyl-)
- 4412-28-6(4,4-dimethyl-5-oxo-5-phenylpentanenitrile)
- 38425-80-8(Benzenepentanenitrile, g-methyl-d-oxo-)
- 7461-85-0(4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile)
- 75279-86-6(2-Acetyl-3-oxo-3-phenylpropanenitrile)
- 173593-74-3(Propanedinitrile, (1-methyl-3-oxo-3-phenylpropyl)-)
- 46177-21-3(2-Benzoylmalononitrile)
- 561305-79-1(2-benzoylhexanenitrile)
- 26454-80-8(2-2-(4-methylphenyl)-2-oxoethylpropanedinitrile)
- 14476-72-3(2-(2-Oxo-2-phenylethyl)malononitrile)
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