Cas no 614-68-6 (1-isocyanato-2-methylbenzene)
1-isocyanato-2-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- o-Tolyl isocyanate
- 2-Isocyanatotoluene
- 1-isocyanato-2-methylbenzene
- 2-Methylphenyl isocyanate
- Isocyanic Acid o-Tolyl Ester
- 2-Tolyl isocyanate
- o-Toluene isocyanate
- o-Methylphenyl isocyanate
- Benzene, 1-isocyanato-2-methyl-
- 2-methylphenylisocyanate
- o-tolylisocyanate
- Isocyanic acid, o-tolyl ester
- 1-isocyanato-2-methyl-benzene
- Tolyl Isocyanate
- 2-toluene isocyanate
- VAYMIYBJLRRIFR-UHFFFAOYSA-N
- Isocyanic acid, o-tolyl ester (7CI,8CI)
- 2-tolylisocyanate
- o-tolyl-isocyanate
- o-toluyl
- MFCD00002009
- D78369
- EINECS 210-389-0
- FT-0612699
- EN300-146747
- Q26840841
- DTXSID7052286
- 2methyl phenyl isocyanate
- AKOS000170052
- ortho-Tolylisocyanate
- CHEBI:60099
- 614-68-6
- AS-57003
- T0320
- AI3-28255
- 2-methyl phenyl isocyanate
- VAYMIYBJLRRIFR-UHFFFAOYSA-
- SCHEMBL93287
- F2190-0555
- 2-methyl phenylisocyanate
- o-Tolyl isocyanate, >=99%
- FT-0631937
- InChI=1/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
- NS00008795
- 1-Isocyanato-2-methylbenzene #
- o-toluyl isocyanate
- DTXCID7030858
- STL299674
- DB-017535
- DB-048035
- BBL100039
- ORTHO-TOLUENEISOCYANATE
- 2-Methylphenylisocyanat
- BENZENE,1-ISOCYANATO-2-METHYL
- o-Tolylcarbonimide
- o-Tolyl isocy
- o-Tolyl isocyana
- UYB80273
- 210-389-0
-
- MDL: MFCD00002009
- Inchi: 1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
- InChI Key: VAYMIYBJLRRIFR-UHFFFAOYSA-N
- SMILES: O=C=NC1C=CC=CC=1C
- BRN: 507985
Computed Properties
- Exact Mass: 133.05300
- Monoisotopic Mass: 133.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 3.1
- Topological Polar Surface Area: 29.4
Experimental Properties
- Color/Form: Not available
- Density: 1.074?g/mL?at 25?°C(lit.)
- Boiling Point: 186°C(lit.)
- Flash Point: Fahrenheit: 197.6 ° f < br / > Celsius: 92 ° C < br / >
- Refractive Index: n20/D 1.535(lit.)
- Water Partition Coefficient: Hydrolyzes in water.
- PSA: 29.43000
- LogP: 1.96230
- Sensitiveness: Moisture Sensitive
- Solubility: Not available
- Vapor Pressure: 0.7±0.4 mmHg at 25°C
1-isocyanato-2-methylbenzene Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H302,H312,H315,H319,H332,H334,H335
- Warning Statement: P261,P280,P305+P351+P338,P342+P311
- Hazardous Material transportation number:UN 2206 6.1/PG 2
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38-42
- Safety Instruction: S23-S26-S45-S36/37/39
- FLUKA BRAND F CODES:19-21
- RTECS:DA3678333
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- TSCA:Yes
- Storage Condition:0-10°C
- Safety Term:6.1
- Packing Group:II
- Risk Phrases:R20/21/22; R36/37/38
- Packing Group:II
- Hazard Level:6.1
1-isocyanato-2-methylbenzene 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. | T113759-100ml |
1-isocyanato-2-methylbenzene |
614-68-6 | >98.0%(GC) | 100ml |
¥1369.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T113759-25ml |
1-isocyanato-2-methylbenzene |
614-68-6 | >98.0%(GC) | 25ml |
¥360.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T113759-5ml |
1-isocyanato-2-methylbenzene |
614-68-6 | >98.0%(GC) | 5ml |
¥168.90 | 2023-09-01 | |
| TRC | T536745-250mg |
o-?Tolyl Isocyanate |
614-68-6 | 250mg |
$64.00 | 2023-05-17 | ||
| TRC | T536745-1g |
o-\u200bTolyl Isocyanate |
614-68-6 | 1g |
$ 60.00 | 2022-06-02 | ||
| TRC | T536745-5g |
o-\u200bTolyl Isocyanate |
614-68-6 | 5g |
$ 90.00 | 2022-06-02 | ||
| TRC | T536745-10g |
o-?Tolyl Isocyanate |
614-68-6 | 10g |
$161.00 | 2023-05-17 | ||
| Chemenu | CM344374-5g |
o-Tolyl isocyanate |
614-68-6 | 95%+ | 5g |
$62 | 2022-06-10 | |
| Chemenu | CM344374-25g |
o-Tolyl isocyanate |
614-68-6 | 95%+ | 25g |
$72 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | T0320-25g |
1-isocyanato-2-methylbenzene |
614-68-6 | 98.0%(GC) | 25g |
¥1070.0 | 2022-05-30 |
1-isocyanato-2-methylbenzene Suppliers
1-isocyanato-2-methylbenzene Related Literature
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Zhenni Su,Yunqiu Feng,Rong Zou,Xianfan Qiu,Jian Wang,Chuanzhou Tao Chem. Commun. 2020 56 7483
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2. Synthesis and structural characterisation of dithiocarbamate-stabilised dimeric molybdenum(V) imido complexes via oxo substitution reactions with organic isocyanatesThérèse A. Coffey,Glyn D. Forster,Graeme Hogarth J. Chem. Soc. Dalton Trans. 1995 2337
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3. NotesRoy J. Gritter,Royce S. Woosley,Peter Walker,A. J. Birch,J. Winter,Karl O. Christe,Attila E. Pavlath,W. Carruthers,G. Harris,I. C. MacWilliam,G. Valkanas,N. K. Roberts,Henri Ulrich,A. A. R. Sayigh,Alwyn G. Evans,B. J. Tabner,Joseph V. Urenovitch,Rade Pejic,Alan G. MacDiarmid,B. R. Brown,A. H. Todd,J. G. Pritchard,R. L. Vollmer,Paul J. Scheuer,Frank Werny,R. K. Smalley,H. Suschitzky,C. D. Foxall,J. W. W. Morgan,D. F. Evans,G. O. P. Doherty,N. B. Haynes,W. B. Whalley,H. J. Rylance J. Chem. Soc. 1963 5544
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Piet W. N. M. van Leeuwen,Paul C. J. Kamer Catal. Sci. Technol. 2018 8 26
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Soohong Cho,Yeonjoo Lee,Kyeongmin Lee,Hwiwoong Lee,Yunmi Lee,Byunghyuck Jung Org. Biomol. Chem. 2022 20 139
Additional information on 1-isocyanato-2-methylbenzene
1-Isocyanato-2-Methylbenzene: A Comprehensive Overview
1-isocyanato-2-methylbenzene, also known as o-methylbenzene isocyanate, is a versatile organic compound with the CAS number 614-68-6. This compound is widely recognized in the chemical industry for its unique properties and applications. Its molecular formula, C8H7N, indicates a structure where an isocyanate group (-NCO) is attached to a methyl-substituted benzene ring. This substitution pattern at the ortho position (position 2) of the benzene ring gives it distinct chemical reactivity and physical properties.
The synthesis of 1-isocyanato-2-methylbenzene typically involves the reaction of an amine with phosgene or other carbonylating agents. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly production methods. For instance, researchers have explored the use of heterogeneous catalysts to enhance reaction yields and reduce byproduct formation. These developments underscore the compound's importance in modern chemical manufacturing.
1-isocyanato-2-methylbenzene exhibits a high degree of reactivity due to the electrophilic nature of the isocyanate group. This makes it a valuable intermediate in the synthesis of various polymers, including polyurethanes and isocyanurate-based materials. In recent studies, its application in the development of thermally stable polymers has gained significant attention. For example, scientists have demonstrated its potential in creating high-performance adhesives and coatings that exhibit excellent resistance to thermal degradation.
In terms of physical properties, 1-isocyanato-2-methylbenzene has a melting point of approximately -5°C and a boiling point around 95°C at standard atmospheric pressure. Its density is about 1.05 g/cm3, making it slightly denser than water. These properties make it suitable for use in various industrial processes where controlled reactivity and handling are essential.
The compound's applications extend beyond polymer synthesis. It is also employed as an intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Recent research has highlighted its role in the development of novel drug delivery systems, where its reactivity allows for the creation of biocompatible materials with tailored properties.
Safety considerations are paramount when handling 1-isocyanato-2-methylbenzene. The compound is highly reactive and can release toxic fumes when exposed to heat or open flames. Proper ventilation and personal protective equipment are essential during its use and storage. Regulatory bodies have established strict guidelines to ensure safe handling practices, reflecting its importance as a key industrial chemical.
In conclusion, 1-isocyanato-2-methylbenzene, with its CAS number 614-68-6, remains a critical component in numerous industrial applications. Its unique chemical properties, coupled with ongoing advancements in synthesis and application techniques, ensure its continued relevance in both academic research and commercial production.
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