Cas no 161718-81-6 (4-Isobutyloxy-1,3-benzenedicarbonitrile)
4-Isobutyloxy-1,3-benzenedicarbonitrile is a specialized aromatic compound featuring a benzene ring substituted with two nitrile groups and an isobutyloxy moiety. Its unique structure makes it valuable as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The presence of both electron-withdrawing nitrile groups and the isobutyloxy side chain enhances its reactivity in nucleophilic and electrophilic substitution reactions. This compound offers precise functionalization potential, enabling tailored modifications for target applications. Its stability under standard conditions and compatibility with various solvents further contribute to its utility in research and industrial processes.
161718-81-6 structure
Product Name:4-Isobutyloxy-1,3-benzenedicarbonitrile
CAS No:161718-81-6
MF:C12H12N2O
MW:200.236482620239
MDL:MFCD13185905
CID:65607
PubChem ID:11117065
Update Time:2025-06-09
4-Isobutyloxy-1,3-benzenedicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Isobutoxyisophthalonitrile
- 4-(2-Methylpropoxy)-1,3-benzenedicarbonitrile
- 4-(2-methylpropoxy)benzene-1,3-dicarbonitrile
- 4-Isobutyloxy-1,3-benzenedicarbonitrile
- 4-isobutoxy-3-cyanobenzonitrile
- 1,3-Benzenedicarbonitrile,4-(2-Methylpropoxy)-
- 4-isobutoxybenzene-1,3-dicarbonitrile
- A810288
- SCHEMBL2344031
- 161718-81-6
- MFCD13185905
- AKOS015890588
- CTQZRQNRVCZKOE-UHFFFAOYSA-N
- AS-18138
- FT-0658617
- J-513331
- DTXSID20455795
- 1,3-Benzenedicarbonitrile, 4-(2-methylpropoxy)-
-
- MDL： MFCD13185905
- Inchi： 1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)5-11(12)7-14/h3-5,9H,8H2,1-2H3
- InChI Key： CTQZRQNRVCZKOE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1C#N)CC(C)C
Computed Properties
- Exact Mass: 200.09500
- Monoisotopic Mass: 200.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- Density: 1.09
- Melting Point: 128-132 oC
- Boiling Point: 345.478°C at 760 mmHg
- Flash Point: 345.478 °C at 760 mmHg
- Refractive Index: 1.528
- PSA: 56.81000
- LogP: 2.46476
4-Isobutyloxy-1,3-benzenedicarbonitrile Security Information
- Signal Word：Warning
- Hazard Statement： H315; H319; H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Storage Condition：Store at room temperature
4-Isobutyloxy-1,3-benzenedicarbonitrile 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%
4-Isobutyloxy-1,3-benzenedicarbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I780090-2.5g |
4-Isobutyloxy-1,3-benzenedicarbonitrile |
161718-81-6 | 2.5g |
$ 145.00 | 2022-06-04 | ||
| TRC | I780090-25g |
4-Isobutyloxy-1,3-benzenedicarbonitrile |
161718-81-6 | 25g |
$ 205.00 | 2022-06-04 | ||
| TRC | I780090-250g |
4-Isobutyloxy-1,3-benzenedicarbonitrile |
161718-81-6 | 250g |
$ 1110.00 | 2022-06-04 | ||
| abcr | AB459502- |
4-Isobutoxyisophthalonitrile; . |
161718-81-6 | €327.50 | 2023-03-31 | |||
| abcr | AB459502-250 mg |
4-Isobutoxyisophthalonitrile; . |
161718-81-6 | 250MG |
€327.50 | 2023-07-18 | ||
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB04858-10g |
4-isobutyloxy-1,3-benzenedicarbonitrile |
161718-81-6 | 95% | 10g |
$1750 | 2023-09-07 | |
| Fluorochem | 210405-250mg |
4-Isobutoxyisophthalonitrile |
161718-81-6 | 95% | 250mg |
￡232.00 | 2022-03-01 | |
| Fluorochem | 210405-1g |
4-Isobutoxyisophthalonitrile |
161718-81-6 | 95% | 1g |
￡579.00 | 2022-03-01 | |
| eNovation Chemicals LLC | Y1233026-250mg |
1,3-Benzenedicarbonitrile, 4-(2-methylpropoxy)- |
161718-81-6 | 98%(HPLC) | 250mg |
$260 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1233026-1g |
1,3-Benzenedicarbonitrile, 4-(2-methylpropoxy)- |
161718-81-6 | 98%(HPLC) | 1g |
$890 | 2023-09-04 |
4-Isobutyloxy-1,3-benzenedicarbonitrile Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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