Cas no 1591-99-7 (1-isocyanato-2,3-dimethylbenzene)
1-Isocyanato-2,3-dimethylbenzene is an aromatic isocyanate derivative characterized by the presence of two methyl groups adjacent to the isocyanate functional group. This structural configuration enhances its reactivity in polyurethane and polyurea synthesis, offering controlled crosslinking and improved mechanical properties in polymer matrices. The compound's steric hindrance from the methyl groups contributes to selective reactivity, making it suitable for specialized applications requiring tailored curing kinetics. It is commonly employed in high-performance coatings, adhesives, and elastomers, where thermal and chemical resistance are critical. Handling requires strict precautions due to its sensitivity to moisture and potential health hazards associated with isocyanate exposure. Storage under inert conditions is recommended to maintain stability.
1591-99-7 structure
Product Name:1-isocyanato-2,3-dimethylbenzene
CAS No:1591-99-7
MF:C9H9NO
MW:147.173862218857
MDL:MFCD00013851
CID:83818
PubChem ID:137096
Update Time:2025-06-07
1-isocyanato-2,3-dimethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethylphenyl isocyanate
- 1-Isocyanato-2,3-dimethylbenzene
- FT-0609721
- GEO-01211
- MFCD00013851
- 1-isocyanato-2,3-dimethyl-benzene
- 2,3-Dimethylphenyl isocyanate, 98%
- EN300-146740
- W-200144
- BB 0254496
- dimethylphenyl isocyanate
- Q27132902
- 1591-99-7
- Benzene, isocyanatodimethyl-
- Benzene, 1-isocyanato-2,3-dimethyl-
- 1-Isocyanato-2,3-dimethylbenzene #
- DTXSID50166584
- CHEBI:63899
- 2,3-Dimethylphenylisocyanate
- F1945-0020
- AKOS000170601
- 2,3-Dimethyphenyl isocyanate
- SCHEMBL93192
- STK504574
- ALBB-007504
- DB-043418
- DTXCID9089075
- 1-isocyanato-2,3-dimethylbenzene
-
- MDL： MFCD00013851
- Inchi： 1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
- InChI Key： KNHJIEOCVVIBIV-UHFFFAOYSA-N
- SMILES： O=C=NC1=CC=CC(C)=C1C
- BRN： 6313438
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: 1
- Complexity: 172
- 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: 3.5
- Topological Polar Surface Area: 29.4A^2
Experimental Properties
- Color/Form: Colorless liquid
- Density: 1.059?g/mL?at 25?°C(lit.)
- Boiling Point: 105?°C50?mm Hg(lit.)
- Flash Point: 199?°F
- Refractive Index: n20/D 1.54(lit.)
- PSA: 29.43000
- LogP: 2.27070
- Sensitiveness: Moisture Sensitive
- Solubility: Hydrolyzable
1-isocyanato-2,3-dimethylbenzene Security Information
- 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
-
Hazardous Material Identification：
- HazardClass：6.1
- PackingGroup：III
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R23/25; R36/37/38; R42
- Packing Group：III
- Hazard Level：6.1
1-isocyanato-2,3-dimethylbenzene 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-isocyanato-2,3-dimethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-RY786-200mg |
1-isocyanato-2,3-dimethylbenzene |
1591-99-7 | 99% | 200mg |
￥120.0 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-RY786-1g |
1-isocyanato-2,3-dimethylbenzene |
1591-99-7 | 99% | 1g |
￥415.0 | 2022-02-28 | |
| Fluorochem | 024273-5g |
2,3-Dimethylphenyl isocyanate |
1591-99-7 | 98% | 5g |
￡57.00 | 2022-03-01 | |
| Fluorochem | 024273-25g |
2,3-Dimethylphenyl isocyanate |
1591-99-7 | 98% | 25g |
￡169.00 | 2022-03-01 | |
| TRC | I779379-2.5g |
1-Isocyanato-2,3-dimethylbenzene |
1591-99-7 | 2.5g |
$ 60.00 | 2022-06-04 | ||
| TRC | I779379-5g |
1-Isocyanato-2,3-dimethylbenzene |
1591-99-7 | 5g |
$ 100.00 | 2022-06-04 | ||
| TRC | I779379-10g |
1-Isocyanato-2,3-dimethylbenzene |
1591-99-7 | 10g |
$ 165.00 | 2022-06-04 | ||
| Apollo Scientific | OR33664-1g |
2,3-Dimethyphenyl isocyanate |
1591-99-7 | 97% | 1g |
￡15.00 | 2022-03-29 | |
| Apollo Scientific | OR33664-5g |
2,3-Dimethyphenyl isocyanate |
1591-99-7 | 97% | 5g |
￡50.00 | 2022-03-29 | |
| Apollo Scientific | OR33664-25g |
2,3-Dimethyphenyl isocyanate |
1591-99-7 | 97% | 25g |
￡163.00 | 2022-03-29 |
1-isocyanato-2,3-dimethylbenzene Related Literature
-
Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
1591-99-7 (1-isocyanato-2,3-dimethylbenzene) Related Products
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- 51163-29-2(1-isocyanato-2,4-dimethylbenzene)
- 614-90-4(Tolylene 2,5-diisocyanate)
- 85324-94-3(Benzene, 1-isocyanato-2,4,5-trimethyl- (9CI))
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