Cas no 40465-45-0 (4-isocyanatobenzonitrile)
4-isocyanatobenzonitrile structure
Product Name:4-isocyanatobenzonitrile
CAS No:40465-45-0
MF:C8H4N2O
MW:144.1301612854
MDL:MFCD00037038
CID:55228
PubChem ID:170380
Update Time:2025-07-30
4-isocyanatobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Cyanophenyl isocyanate
- P-CYANOPHENYL ISOCYANATE
- 4-ISOCYANATOBENZONITRILE
- 4-isocyanato-benzonitril
- 4-Cyanophenyl
- Benzonitrile, 4-isocyanato-
- 40465-45-0
- BP-10102
- MFCD00037038
- DTXSID0068230
- Isocyanic acid, ester with p-cyanophenol
- SY013798
- W-106352
- P19992
- 4-Cyanophenylisocyanate
- EN300-28749
- 4-isocyanatobenzonitrile;4-Cyanophenyl Isocyanate
- SCHEMBL135741
- 4-Cyanophenyl isocyanate, 97%
- AKOS000202533
- GOU22OT3BX
- NS00030797
- UNII-GOU22OT3BX
- p-cyanophenylisocyanate
- FT-0618306
- 4-cyanophenylisocyanat
- Z271138688
- A825118
- EINECS 254-934-0
- 4-Isocyanatobenzonitrile #
- 1-cyano-4-isocyanato-benzene
- STR02688
- DTXCID6039766
- BBL104298
- STL558608
- 4-isocyanatobenzonitrile
-
- MDL： MFCD00037038
- Inchi： 1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
- InChI Key： TVSXDZNUTPLDKY-UHFFFAOYSA-N
- SMILES： O=C=NC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 144.03200
- Monoisotopic Mass: 144.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 2.4
- Topological Polar Surface Area: 53.2A^2
Experimental Properties
- Color/Form: solid
- Density: 1.2851 (rough estimate)
- Melting Point: 101-104?°C (lit.)
- Boiling Point: 262.72°C (rough estimate)
- Flash Point: 32℃
- Refractive Index: 1.4900 (estimate)
- Water Partition Coefficient: Insoluble (DEC)
- PSA: 53.22000
- LogP: 1.52558
- Solubility: Insoluble
4-isocyanatobenzonitrile Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302 + H312 + H332-H315-H319-H335
- Warning Statement： P261-P280-P305 + P351 + P338
- Hazardous Material transportation number：UN 2206 6.1/PG 3
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S26-S36/37/39
-
Hazardous Material Identification：
- Storage Condition：2-8°C
- Risk Phrases：R20/21/22; R36/37/38
- Safety Term：S26-S36/37/39
4-isocyanatobenzonitrile Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
4-isocyanatobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C134152-10g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 10g |
￥440.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C134152-1g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 1g |
￥82.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C134152-2.5g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 2.5g |
￥164.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C134152-50g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 50g |
￥1853.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C134152-5g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 5g |
￥243.90 | 2023-09-03 | |
| Fluorochem | 046926-5g |
4-Cyanophenyl isocyanate |
40465-45-0 | 97% | 5g |
￡122.00 | 2022-02-28 | |
| Fluorochem | 046926-25g |
4-Cyanophenyl isocyanate |
40465-45-0 | 97% | 25g |
￡358.00 | 2022-02-28 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030832-2.5g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 2.5g |
￥191 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030832-10g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 10g |
￥431 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030832-50g |
4-isocyanatobenzonitrile |
40465-45-0 | 97% | 50g |
￥7794 | 2024-05-23 |
4-isocyanatobenzonitrile Related Literature
-
Kristina A. Gudun,Samat Tussupbayev,Ainur Slamova,Andrey Y. Khalimon Org. Biomol. Chem. 2022 20 6821
-
Bernard Pirotte,Xavier Florence,Eric Goffin,Philippe Lebrun Med. Chem. Commun. 2019 10 431
-
Maryam Emami Khansari,Corey R. Johnson,Ismet Basaran,Aemal Nafis,Jing Wang,Jerzy Leszczynski,Md. Alamgir Hossain RSC Adv. 2015 5 17606
-
Laura E. English,Thomas M. Horsley Downie,Catherine L. Lyall,Mary F. Mahon,Claire L. McMullin,Samuel E. Neale,Carla M. Saunders,David J. Liptrot Chem. Commun. 2023 59 1074
-
Riyaz Ahmed,Ria Gupta,Zaheen Akhter,Mukesh Kumar,Parvinder Pal Singh Org. Biomol. Chem. 2022 20 4942
40465-45-0 (4-isocyanatobenzonitrile) Related Products
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- 374675-64-6(Benzene,1-isocyanato-4-methyl-, radical ion(1+) (9CI))
- 54132-75-1(1-isocyanato-3,5-dimethylbenzene)
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- 1219798-59-0(P-TOLYL-D7 ISOCYANATE)
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