Cas no 111944-21-9 ((3-isocyanopropyl)benzene)
(3-isocyanopropyl)benzene structure
Product Name:(3-isocyanopropyl)benzene
CAS No:111944-21-9
MF:C10H11N
MW:145.201042413712
CID:135390
PubChem ID:2734775
Update Time:2025-04-19
(3-isocyanopropyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(3-isocyanopropyl)-
- 3-isocyanopropylbenzene
- 3-PHENYLPROPYL ISOCYANIDE
- NULL
- (3-ISOCYANOPROPYL)BENZENE
- 3-Phenylpropyl isocyanide(3-Isocyanopropyl)benzene
- 3-Phenylpropylisocyanide
- J-002664
- DTXSID20370499
- FT-0690392
- AKOS006342686
- 111944-21-9
- Benzene, (3-isocyanopropyl)-
- EN300-1869236
- GS-0091
- A802450
- 3-Phenylpropyl isocyanide,96%
- (3-isocyanopropyl)benzene
-
- MDL: MFCD02664668
- Inchi: 1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2
- InChI Key: ZQMZCHTXHCEALS-UHFFFAOYSA-N
- SMILES: [N+](#[C-])CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 145.08900
- Monoisotopic Mass: 145.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 136
- 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: 2.2
- Topological Polar Surface Area: 4.4?2
Experimental Properties
- Density: 0.94
- Boiling Point: 90 °C (7.501 mmHg)
- Refractive Index: 1.512-1.514
- PSA: 0.00000
- LogP: 1.76920
(3-isocyanopropyl)benzene Security Information
- Hazard Category Code: 36/37/38-20/21/22
- Safety Instruction: 36/37/39-26
-
Hazardous Material Identification:
- Safety Term:S36/37/39-26
- Risk Phrases:R36/37/38
(3-isocyanopropyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 021038-1g |
3-Phenylpropylisocyanide |
111944-21-9 | 1g |
£76.00 | 2022-02-28 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-283840-1g |
3-Phenylpropylisocyanide, |
111944-21-9 | 1g |
¥4024.00 | 2023-09-05 | ||
| Enamine | EN300-1869236-1g |
(3-isocyanopropyl)benzene |
111944-21-9 | 1g |
$986.0 | 2023-09-18 | ||
| Enamine | EN300-1869236-5g |
(3-isocyanopropyl)benzene |
111944-21-9 | 5g |
$2858.0 | 2023-09-18 | ||
| Enamine | EN300-1869236-10g |
(3-isocyanopropyl)benzene |
111944-21-9 | 10g |
$4236.0 | 2023-09-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-283840-1 g |
3-Phenylpropylisocyanide, |
111944-21-9 | 1g |
¥4,024.00 | 2023-07-11 | ||
| Enamine | EN300-1869236-0.05g |
(3-isocyanopropyl)benzene |
111944-21-9 | 0.05g |
$827.0 | 2023-09-18 | ||
| Enamine | EN300-1869236-0.1g |
(3-isocyanopropyl)benzene |
111944-21-9 | 0.1g |
$867.0 | 2023-09-18 | ||
| Enamine | EN300-1869236-0.25g |
(3-isocyanopropyl)benzene |
111944-21-9 | 0.25g |
$906.0 | 2023-09-18 | ||
| Enamine | EN300-1869236-0.5g |
(3-isocyanopropyl)benzene |
111944-21-9 | 0.5g |
$946.0 | 2023-09-18 |
(3-isocyanopropyl)benzene Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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