m-Xylylene Diisocyanate (MXDI) - ≥98%(GC) , CAS No.3634-83-1

CAS: 3634-83-1 Cat. No.: M158033 Peso molecular: 188.19 Número EC: 222-852-4

GRADE & PURITY ≥98%(GC)

Synonyms

1,3-Bis-(isokyanatomethyl)benzen [Czech] | M-Xdi | X0022 | 1,3-Bis-(isokyanatomethyl)benzen | AKOS000120090 | Benzene, 1,3-diisocyanatomethyl- | m-Xylylendiisokyanat | MFCD00019917 | Benzene, 1,3-bis(isocyanatomethyl)- | m-Xylylene diisocyanate, technical

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 3-Bis-(isokyanatomethyl)benzen [Czech] | M-Xdi | X0022 | 1, 3-Bis-(isokyanatomethyl)benzen | AKOS000120090 | Benzene, 1, 3-diisocyanatomethyl- | m-Xylylendiisokyanat | MFCD00019917 | Benzene, 1, 3-bis(isocyanatomethyl)- | m-Xylylene diisocyanate, technical

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)CN=C=O)CN=C=O
• IUPAC Name: 1,3-bis(isocyanatomethyl)benzene
• InChIKey: RTTZISZSHSCFRH-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2
• Isómeros SMILES: C1=CC(=CC(=C1)CN=C=O)CN=C=O
• RTECS: NR0147000
• Peso molecular: 188.19
• Reaxy-Rn: 781825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=781825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Air&Moisture&Heat sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°C): 174°C
• Punto de ebullición (°C): 88-90 °C/0.02 mmHg(lit.)
• Punto de fusión (°C): -7℃
• Peso molecular: 188.180 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.059 Da
• Monoisotopic Mass: 188.059 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yanyan Li, Yan Zhou, Xiaoteng Jia, Xincai Liu, Ce Wang, Danming Chao.  (2017)  Synthesis and electrochromic performance of oligoaniline-containing polyureas capped with various functional groups.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  56  (4): (412-419).  [PMID:] [10.1002/pola.28908]

2. Jingjing Yan, Bo Liu, Jian Wang, Junyang Zeng, Bei Li, Xin Zhang, Shujun Zhang, Ce-Wen Nan.  (2024)  Optimized molecular interactions significantly enhance capacitive energy storage in polymer blends at 150 °C.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2024.103919]

3. Li Yan Mei, Zhang Ze Ping, Rong Min Zhi, Zhang Ming Qiu.  (2022)  Tailored modular assembly derived self-healing polythioureas with largely tunable properties covering plastics, elastomers and fibers.  Nature Communications,  13  (1): (1-10).  [PMID:35551199] [10.1038/s41467-022-30364-x]

4. Chenxin Xu, Yushu Tian, Hengheng Zhao, Jiadong Wang, Qingjun Wang, Xiang Lin, Jun Liu, Zhao Wang, Xuan Qin, Liqun Zhang.  (2025)  Novel Bio-Based Polyurethane Elastomers Customizable for Orthopedic Devices: Toughness, Rapid Degradability, and Safety.  SusMat,      [PMID:] [10.1002/sus2.70038]

5. Wenxing Luo, Minming Zou, Jue Wang, Yan Ma, Xiaowu Hu, Wenjing Chen, Xiongxin Jiang, Qinglin Li.  (2026)  Intrinsic photothermal performance and flexibility of polyurethane phase change materials via π-π conjugation for personal thermal management in outdoor cold environments.  Materials Today Physics,      [PMID:] [10.1016/j.mtphys.2026.102039]

6. Chenyue Liang, Wuzhuang Wei, Chao Gao, Yu Li, Shujuan Wang, Xinli Jing.  (2026)  Synergizing low interfacial toughness and dynamic self-healing in a polythiourethane coating for durable large-scale ice removal.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2026.110080]