Cas no 2012-81-9 (2-(4-Chlorophenyl)-3-methylbutanenitrile)
2012-81-9 structure
Product Name:2-(4-Chlorophenyl)-3-methylbutanenitrile
CAS No:2012-81-9
MF:C11H12ClN
MW:193.672681808472
MDL:MFCD00043690
CID:84063
PubChem ID:102734
Update Time:2025-07-26
2-(4-Chlorophenyl)-3-methylbutanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Chlorophenyl)-3-methylbutanenitrile
- 2-(P-CHLOROPHENYL)-3-METHYLBUTYRONITRILE
- 2-(4-CHLOROPHENYL)-3-METHYLBUTYRONITRILE
- ALPHA-ISOPROPYL-4-CHLOROPHENYLACETONITRILE
- CPIN
- 4-Chloro-(1-methylethyl)benzene-acetonitrile
- 4-chloro-a-(1-methylethyl)benzeneacetonitrile
- 4-chloro-alpha-(1-methylethyl)-benzeneacetonitril
- Benzeneacetonitrile, 4-chloro-alpha-(1-methylethyl)-
- 4-Chlorophenyl-alpha-isopropyl acetonitrile
- A-ISOPROPYL-4-CHLOROPHENYLACETONITRILE
- 4-CHLORO-ALPHA-(1-METHYLETHYL)BENZENEACETONITRILE
- P-Chlorophenyl-isopropylacetonitrile
- Α-ISOPROPYL- PARA CHLORO BENZYL CYANIDE
- (RS)-2-isopropyl-4'-chlorophenylacetonitrile
- 3-Methyl-2-(4'-chlorophenyl)-butyronitrile
- Z1198148456
- SCHEMBL2920989
- CAA01281
- FT-0694403
- 4-Chloro-alpha-isopropylbenzyl cyanide
- EINECS 217-935-7
- AKOS006272614
- EN300-211953
- DTXSID70874179
- 2-(4-Chlorophenyl)-3-methylbutanenitrile #
- alpha-Isopropyl-p-chlorophenylacetonitrile
- Benzeneacetonitrile, 4-chloro-.alpha.-(1-methylethyl)-
- NS00045738
- InChI=1/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
- RBGSZIRWNWQDOK-UHFFFAOYSA-
- BENZENEACETONITRILE, 4-CHLORO-.ALPHA.-(1-METHYLE
- 2012-81-9
- DB-121679
-
- MDL： MFCD00043690
- Inchi： 1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
- InChI Key： RBGSZIRWNWQDOK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C#N)C(C)C
Computed Properties
- Exact Mass: 193.06600
- Monoisotopic Mass: 193.065827
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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
- Topological Polar Surface Area: 23.8
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: liquid
- Density: 1.1225 (rough estimate)
- Boiling Point: 317.7°C (rough estimate)
- Flash Point: 107.2°C
- Refractive Index: 1.6100 (estimate)
- PSA: 23.79000
- LogP: 3.60318
- Solubility: Insoluble in water
2-(4-Chlorophenyl)-3-methylbutanenitrile Security Information
- WGK Germany：2
- Safety Instruction： S26; S36/37
- RTECS：XM9410000
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38; R42; R43; R42/43
2-(4-Chlorophenyl)-3-methylbutanenitrile 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%
2-(4-Chlorophenyl)-3-methylbutanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-211953-0.05g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 0.05g |
$65.0 | 2025-03-21 | |
| Enamine | EN300-211953-0.1g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 0.1g |
$96.0 | 2025-03-21 | |
| Enamine | EN300-211953-0.25g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 0.25g |
$136.0 | 2025-03-21 | |
| Enamine | EN300-211953-0.5g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 0.5g |
$256.0 | 2025-03-21 | |
| Enamine | EN300-211953-1.0g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 1.0g |
$355.0 | 2025-03-21 | |
| Enamine | EN300-211953-2.5g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 2.5g |
$697.0 | 2025-03-21 | |
| Enamine | EN300-211953-5.0g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 5.0g |
$1033.0 | 2025-03-21 | |
| Enamine | EN300-211953-10.0g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95.0% | 10.0g |
$1531.0 | 2025-03-21 | |
| Enamine | EN300-211953-1g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95% | 1g |
$355.0 | 2023-09-16 | |
| Enamine | EN300-211953-5g |
2-(4-chlorophenyl)-3-methylbutanenitrile |
2012-81-9 | 95% | 5g |
$1033.0 | 2023-09-16 |
2-(4-Chlorophenyl)-3-methylbutanenitrile Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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