Cas no 614-68-6 (1-isocyanato-2-methylbenzene)

1-Isocyanato-2-methylbenzene (CAS 614-68-6), also known as o-tolyl isocyanate, is an aromatic isocyanate compound characterized by its reactive –NCO functional group attached to a methyl-substituted benzene ring. This monomer is primarily utilized in the synthesis of polyurethanes, coatings, adhesives, and specialty polymers due to its ability to form urethane linkages with polyols. Its ortho-methyl group enhances steric effects, influencing reactivity and polymer properties. The compound is typically handled under controlled conditions due to its moisture sensitivity and potential health hazards. Key advantages include its role in producing high-performance materials with tailored mechanical and chemical resistance properties, making it valuable in industrial and research applications.
1-isocyanato-2-methylbenzene structure
1-isocyanato-2-methylbenzene structure
Product Name:1-isocyanato-2-methylbenzene
CAS No:614-68-6
MF:C8H7NO
MW:133.147281885147
MDL:MFCD00002009
CID:38914
PubChem ID:69194
Update Time:2025-10-30

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: GHS07 GHS08
  • 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: Xn
  • 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 Customs Data

  • HS CODE:29299010

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

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:614-68-6)鄰二甲苯異氰酸鹽
Order Number:LE2474576
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:41
Price ($):discuss personally

1-isocyanato-2-methylbenzene Related Literature

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.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:614-68-6)鄰二甲苯異氰酸鹽
LE2474576
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email