Cas no 23138-58-1 (1-ethyl-3-isocyanatobenzene)
1-Ethyl-3-isocyanatobenzene is an aromatic isocyanate compound characterized by its reactive isocyanate functional group attached to a benzene ring substituted with an ethyl group at the meta position. This compound is primarily utilized as a versatile intermediate in organic synthesis, particularly in the production of polyurethanes, coatings, adhesives, and specialty polymers. Its structure offers a balance between reactivity and stability, enabling controlled reactions with polyols, amines, and other nucleophiles. The ethyl substituent influences solubility and steric properties, making it suitable for tailored applications requiring specific performance characteristics. Proper handling is essential due to its potential sensitivity to moisture and reactivity hazards.
1-ethyl-3-isocyanatobenzene structure
Product Name:1-ethyl-3-isocyanatobenzene
CAS No:23138-58-1
MF:C9H9NO
MW:147.173862218857
MDL:MFCD00013870
CID:88413
PubChem ID:2769637
Update Time:2025-06-08
1-ethyl-3-isocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- 3-ethylphenyl isocyanate
- 1-Ethyl-3-isocyanatobenzene
- 1-ethyl-3-isocyanate-benzene
- 1-ethyl-3-isocyanato-benzene
- 1-ethyl-3-isocyanatobenzene(SALTDATA: FREE)
- 3-EtC6H4NCO
- 3-ethylbenzenisocyanate
- 3-ethyl-phenyl isocyanate
- 3-ethylphenylisocyanate
- FT-0615665
- SCHEMBL58461
- 23138-58-1
- Benzene, 1-ethyl-3-isocyanato-
- 3-Ethylphenyl isocyanate, 98%
- DTXSID50377810
- MFCD00013870
- EN300-146917
- W-200242
- FS-5428
- GEO-01373
- AKOS005171071
- DTXCID60328838
- BBL037644
- STK502538
- DB-046082
- ALBB-003018
- G32662
- 1-ethyl-3-isocyanatobenzene
-
- MDL： MFCD00013870
- Inchi： 1S/C9H9NO/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
- InChI Key： DNFZCDLEGMEKMI-UHFFFAOYSA-N
- SMILES： O=C=NC1=CC=CC(=C1)CC
- BRN： 386718
Computed Properties
- Exact Mass: 147.06800
- Monoisotopic Mass: 147.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 161
- 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: nothing
- Topological Polar Surface Area: 29.4A^2
Experimental Properties
- Color/Form: Colorless liquid, pungent odor 2. density (g/ml, 25/4 ℃)
- Density: 1.033?g/mL?at 25?°C(lit.)
- Melting Point: NA
- Boiling Point: 104?°C40?mm Hg(lit.)
- Flash Point: 185?°F
- Refractive Index: n20/D 1.526(lit.)
- PSA: 29.43000
- LogP: 2.21630
- Sensitiveness: Moisture Sensitive
- Vapor Pressure: 0.2±0.4 mmHg at 25°C
1-ethyl-3-isocyanatobenzene Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：UN 2206 6.1/PG 3
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S23-S26-S36/37/39-S45
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：6.1
- HazardClass：6.1
- PackingGroup：III
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R23/25; R36/37/38; R42
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-ethyl-3-isocyanatobenzene 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%
1-ethyl-3-isocyanatobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 024283-1g |
3-Ethylphenyl isocyanate |
23138-58-1 | 95% | 1g |
￡45.00 | 2022-03-01 | |
| TRC | E902498-50mg |
1-ethyl-3-isocyanatobenzene |
23138-58-1 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E902498-100mg |
1-ethyl-3-isocyanatobenzene |
23138-58-1 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E902498-500mg |
1-ethyl-3-isocyanatobenzene |
23138-58-1 | 500mg |
$ 230.00 | 2022-06-05 | ||
| Fluorochem | 024283-5g |
3-Ethylphenyl isocyanate |
23138-58-1 | 95% | 5g |
￡155.00 | 2022-03-01 | |
| abcr | AB179541-1 g |
3-Ethylphenyl isocyanate, 95%; . |
23138-58-1 | 95% | 1 g |
€304.50 | 2023-07-20 | |
| abcr | AB179541-5 g |
3-Ethylphenyl isocyanate, 95%; . |
23138-58-1 | 95% | 5 g |
€1,045.70 | 2023-07-20 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L12699-1g |
3-Ethylphenyl isocyanate, 97% |
23138-58-1 | 97% | 1g |
￥704.00 | 2023-03-06 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L12699-5g |
3-Ethylphenyl isocyanate, 97% |
23138-58-1 | 97% | 5g |
￥2703.00 | 2023-03-06 | |
| eNovation Chemicals LLC | Y1240110-1g |
Benzene, 1-ethyl-3-isocyanato- |
23138-58-1 | 95% | 1g |
$170 | 2024-06-07 |
1-ethyl-3-isocyanatobenzene Related Literature
-
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
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
23138-58-1 (1-ethyl-3-isocyanatobenzene) Related Products
- 31027-31-3(4-Isopropylphenyl isocyanate)
- 25686-28-6(Benzene,1,1'-methylenebis[4-isocyanato-, homopolymer)
- 78062-13-2(Benzene, 1-isocyanato-3-[(4-isocyanatophenyl)methyl]-)
- 54132-75-1(1-isocyanato-3,5-dimethylbenzene)
- 621-29-4(m-Tolyl isocyanate)
- 1034-24-8(Benzene,1,1'-(1,2-ethanediyl)bis[4-isocyanato-)
- 78062-15-4(Benzene,4-isocyanato-2-[(4-isocyanatophenyl)methyl]-1-methyl-)
- 23138-50-3(1-ethyl-4-isocyanatobenzene)
- 1823-37-6(4'-Benzylphenyl Isocyanate)
- 61605-45-6(Benzene, 1-isocyanato-3-propyl-)
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