Cas no 14542-93-9 (1,1,3,3-Tetramethylbutyl isocyanide)
1,1,3,3-Tetramethylbutyl isocyanide is a branched alkyl isocyanide characterized by its sterically hindered structure, which enhances stability and reactivity in organometallic and coordination chemistry applications. The tert-butyl substitution at the α-position imparts significant steric bulk, making it a valuable ligand in catalytic systems where steric control is critical. Its isocyanide functional group serves as a versatile precursor in multicomponent reactions, including Ugi and Passerini reactions, due to its strong electron-donating properties. The compound's stability under ambient conditions and compatibility with a range of solvents further contribute to its utility in synthetic organic and inorganic chemistry. Its defined molecular structure ensures consistent performance in complex transformations.
14542-93-9 structure
Product Name:1,1,3,3-Tetramethylbutyl isocyanide
CAS No:14542-93-9
MF:C9H17N
MW:139.23798251152
MDL:MFCD00000003
CID:150708
PubChem ID:87576855
Update Time:2025-05-22
1,1,3,3-Tetramethylbutyl isocyanide Chemical and Physical Properties
Names and Identifiers
-
- Pentane,2-isocyano-2,4,4-trimethyl-
- WALBORSKY REAGENT
- WALBORSKY'S REAGENT
- TERT-OCTYLISONITRILE
- TERT-OCTYL ISOCYANIDE
- 2-isocyano-2,4,4-trimethyl-pentan
- 2-isocyano-2,4,4-triMethylpentane
- 1,1,3,3-TETRAMETHYLBUTYLISONITRILE
- 1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE
- Pentane, 2-isocyano-2,4,4-trimethyl-
- 1,1,3,3-Tetramethylbutyl isocyanide,95%
- 2-isocyano-2,4,4-trimethyl-pentane
- T1054
- EINECS 238-577-8
- NSC141688
- A808368
- InChI=1/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H
- (2,4,4-trimethylpentane-2-yl)-isocyanide
- NS00024737
- W-200118
- tert-Octyl isocyanide, Walborsky's reagent
- 14542-93-9
- tert-Octylisocyanide
- AC4321
- Butyl isocyanide,1,3,3-tetramethyl-
- SY051435
- MFCD00000003
- 1,3,3-Tetramethylbutylisonitrile
- GEO-02820
- Pentane,4,4-trimethyl-
- DTXSID9065784
- NSC 141688
- FT-0606002
- SCHEMBL377668
- Butyl isocyanide, 1,1,3,3-tetramethyl-
- 1,3,3-Tetramethylbutyl isocyanide
- 1,1,3,3-tetramethyl-butylisonitrile
- EN300-6512481
- UNII-9EVN2N5TVN
- 9EVN2N5TVN
- AKOS015959087
- BS-21409
- NSC-141688
- 1,1,3,3-tetramethylbutylisocyanide
- DB-042782
- 1,1,3,3-Tetramethylbutyl isocyanide
-
- MDL： MFCD00000003
- Inchi： 1S/C9H17N/c1-8(2,3)7-9(4,5)10-6/h7H2,1-5H3
- InChI Key： YVPXQMYCTGCWBE-UHFFFAOYSA-N
- SMILES： [N+](#[C-])C(C)(C)CC(C)(C)C
Computed Properties
- Exact Mass: 139.13600
- Monoisotopic Mass: 139.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 151
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 4.4A^2
Experimental Properties
- Color/Form: liquid
- Density: 0.794?g/mL?at 25?°C(lit.)
- Boiling Point: 50°C/12mmHg
- Flash Point: Fahrenheit: 125.6 ° f
Celsius: 52 ° c - Refractive Index: n20/D 1.422(lit.)
- PSA: 0.00000
- LogP: 2.35120
- Solubility: Not available
1,1,3,3-Tetramethylbutyl isocyanide Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H226-H302+H312+H332
- Warning Statement： P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501
- Hazardous Material transportation number：UN 1993 3/PG 3
- WGK Germany：3
- Hazard Category Code： 10-20/21/22
- Safety Instruction： S23-S36/37
- FLUKA BRAND F CODES：10-21
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：3.2
- HazardClass：3.2
- PackingGroup：III
- Storage Condition：0-10°C
- Safety Term：3.2
- Packing Group：III
- Risk Phrases：R10; R20/21/22
1,1,3,3-Tetramethylbutyl isocyanide 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%
1,1,3,3-Tetramethylbutyl isocyanide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 226491-5G |
1,1,3,3-Tetramethylbutyl isocyanide |
14542-93-9 | technical grade | 5G |
￥1168.79 | 2022-02-24 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1054-5ML |
1,1,3,3-Tetramethylbutyl Isocyanide |
14542-93-9 | >95.0%(GC) | 5ml |
￥1210.00 | 2024-04-17 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY051435-5g |
1,1,3,3-Tetramethylbutyl Isocyanide |
14542-93-9 | ≥95% | 5g |
￥1291.00 | 2024-07-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X21215-250mg |
1,1,3,3-TETRAMETHYLBUTYLISOCYANIDE |
14542-93-9 | 97% | 250mg |
￥152.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X21215-5g |
1,1,3,3-TETRAMETHYLBUTYLISOCYANIDE |
14542-93-9 | 97% | 5g |
￥1186.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X21215-25g |
1,1,3,3-TETRAMETHYLBUTYLISOCYANIDE |
14542-93-9 | 97% | 25g |
￥4448.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X21215-1g |
1,1,3,3-TETRAMETHYLBUTYLISOCYANIDE |
14542-93-9 | 97% | 1g |
￥270.0 | 2024-07-18 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1054-1ML |
1,1,3,3-Tetramethylbutyl Isocyanide |
14542-93-9 | >95.0%(GC) | 1ml |
￥385.00 | 2024-04-17 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162632-5ML |
1,1,3,3-Tetramethylbutyl isocyanide |
14542-93-9 | >95.0%(GC) | 5ml |
￥1109.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162632-1ML |
1,1,3,3-Tetramethylbutyl isocyanide |
14542-93-9 | >95.0%(GC) | 1ml |
￥249.90 | 2023-08-31 |
1,1,3,3-Tetramethylbutyl isocyanide Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
14542-93-9 (1,1,3,3-Tetramethylbutyl isocyanide) Related Products
- 341534-79-0(1-Undecanamine, 10-isocyano-10-methyl-)
- 84788-23-8(1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulen-4-yl isocyanide)
- 22110-53-8(1-Isocyanoadamantane)
- 88523-50-6(Heptane, 2-isocyano-2-methyl-)
- 62398-28-1(Cyclopropane, 1-butyl-1-isocyano-)
- 602261-81-4(2-isocyano-5-methylhexane)
- 119323-93-2(1,5-Methano-1H-indene, octahydro-6-isocyano-1,3a-dimethyl-6-(1-methylethyl)-, (1R,3aS,5R,6R,7aS)-rel-(+)-)
- 55907-33-0(1H-Cycloprop[e]azulene,decahydro-4-isocyano-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)- (9CI))
- 104876-26-8(Bicyclo[2.2.2]octane, 1-isocyano-)
- 121282-64-2(Cyclohexane, 1-dodecyl-1-isocyano-)
Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
