Grouped product items

SKU

Size

Availability

Price

Qty

T106835-5g

Available within 4-8 weeks(?)

$19.90

T106835-25g

25g

$75.90

T106835-100g

100g

$186.90

T106835-500g

500g

$659.90

Basic Description

Synonyms	1-Isocyanato-4-methylbenzene \| 1-isocyanato-4-methyl-benzene \| 4-Isocyanatotoluene \| PTI \| MFCD00002029 \| 4-methylphenylisocyanate \| 4-methyl-phenyl-isocyanate \| 4-methyphenylisocyanate \| A833679 \| Epitope ID:116221 \| D92322 \| EC 210-743-4 \| AKOS000202531
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - 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
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors	toluenes - isocyanates
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

Names and Identifiers

IUPAC Name	1-isocyanato-4-methylbenzene
INCHI	InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey	MGYGFNQQGAQEON-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)N=C=O
Isomeric SMILES	CC1=CC=C(C=C1)N=C=O
WGK Germany	3
RTECS	DA3681666
PubChem CID	69325
UN Number	2206
Molecular Weight	133.15
Beilstein	471494
Reaxy-Rn	471494

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

25 results found

Lot Number	Certificate Type	Date	Item
G2501630	Certificate of Analysis	Jun 19, 2025	T106835
G2501659	Certificate of Analysis	Jun 19, 2025	T106835
H2302932	Certificate of Analysis	May 07, 2025	T106835
H2302931	Certificate of Analysis	May 07, 2025	T106835
H2302933	Certificate of Analysis	May 07, 2025	T106835
E2514408	Certificate of Analysis	Apr 29, 2025	T106835
E2514452	Certificate of Analysis	Apr 29, 2025	T106835
C2517569	Certificate of Analysis	Nov 04, 2024	T106835
C2517600	Certificate of Analysis	Nov 04, 2024	T106835
C2517618	Certificate of Analysis	Nov 04, 2024	T106835
C2517619	Certificate of Analysis	Nov 04, 2024	T106835
B2513410	Certificate of Analysis	Oct 16, 2024	T106835
F2424324	Certificate of Analysis	Jul 15, 2024	T106835
E2421105	Certificate of Analysis	Apr 13, 2024	T106835
B2208427	Certificate of Analysis	Nov 06, 2023	T106835
B2208426	Certificate of Analysis	Nov 06, 2023	T106835
K21171154	Certificate of Analysis	Aug 10, 2023	T106835
K21171155	Certificate of Analysis	Aug 10, 2023	T106835
K21171136	Certificate of Analysis	Aug 10, 2023	T106835
D2417039	Certificate of Analysis	Jul 12, 2023	T106835
D23081695	Certificate of Analysis	Mar 28, 2023	T106835
D23081634	Certificate of Analysis	Mar 28, 2023	T106835
D23081025	Certificate of Analysis	Mar 28, 2023	T106835
D23081699	Certificate of Analysis	Mar 28, 2023	T106835
C2310620	Certificate of Analysis	Mar 14, 2023	T106835

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Chemical and Physical Properties

Sensitivity	heat & Moisture sensitive
Refractive Index	1.5301-1.5321
Flash Point(°F)	150.8 °F
Flash Point(°C)	66℃
Boil Point(°C)	70-72°C
Molecular Weight	133.150 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	133.053 Da
Monoisotopic Mass	133.053 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	141.000
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

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiaochun Liu, Jianyu Wu, Jianxin Wu, Zhiyi Huang, Wei Shen, Xingshan Yin, Yingjuan Sun, Xiaofeng Lin, Wenjing Lin, Guobin Yi. (2023) Tough, self-healing, and recyclable cross-linked polyurethane elastomers via synergistic effect of dual dynamic covalent bonds. JOURNAL OF APPLIED POLYMER SCIENCE, 141 (5): (e54876).
2. Tong-fang Jing, Da-xia Zhang, Yan Jin, Guo-dong Si, Bei-xing Li, Wei Mu, Feng Liu. (2023) Humic acid nature and compound structure together determine the capacity of soil to sorb Avermectin B1a and its derivatives. CHEMICAL ENGINEERING JOURNAL, 453 (139914).
3. Yulong Jin, Yang Yang, Changzhi Su, Junrong Wang, Yongnian Wang, Boping Liu. (2022) Novel Imido-Cr/Silica Ethylene Polymerization Catalysts Modified from the Phillips Catalyst. Macromolecular Reaction Engineering, 16 (6): (2200025).
4. Shuaijun Fang, Gaofeng Feng, Yuqiu Guo, Weiguo Chen, Hongfei Qian. (2020) Synthesis and application of urethane-containing azo disperse dyes on polyamide fabrics. DYES AND PIGMENTS, 176 (108225).
5. Zenghe Liu, Luzhi Zhang, Qingbao Guan, Yifan Guo, Jiaming Lou, Dong Lei, Shuliang Wang, Shuo Chen, Lijie Sun, Huixia Xuan, Eric Meade Jeffries, Chuanglong He, Feng-Ling Qing, Zhengwei You. (2019) Biomimetic Materials with Multiple Protective Functionalities. ADVANCED FUNCTIONAL MATERIALS, 29 (28): (1901058).
6. Xing Juan Chen, Guang Lei Yang, Xiao Dong Xu, Jin Jin Sheng, Jun Shen, Hong Xing Dong. (2016) Preparation and chromatographic evaluation of β-cyclodextrin derivative CSPs bearing substituted phenylcarbamate groups for HPLC. JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,
7. Yang Yong, Sun Chen, Zhou Yuming, Wang Tianhe, Zhang Yiwei. (2016) Optically active polyurethane based on tyrosine: synthesis, characterization and study of hydrogen bonding. POLYMER JOURNAL, 48 (7): (807-812).
8. Fang Zizheng, Mu Hongfeng, Sun Zhuo, Zhang Kaihang, Zhang Anyang, Chen Jiada, Zheng Ning, Zhao Qian, Yang Xuxu, Liu Feng, Wu Jingjun, Xie Tao. (2024) 3D printable elastomers with exceptional strength and toughness. NATURE, 631 (8022): (783-788).
9. Jiayi Gan, Jie Zhou, Yusong Xu, Tao Zhang, Xianming Zhang. (2024) Flame-Retardant and Antibacterial Waterborne Polyurethane Composites Based on a Cu(II)–Phytate–Aromatic Schiff Base Complex. ACS Applied Polymer Materials, 6 (16): (9974-9985).
10. Jingjing Qin, Jiaming Liu, Dingsong Wang, Liyan Liang, Chaolong Yang, Maoping Lyu. (2024) High performance, self-healable and recyclable epoxy thermosets by integrating dynamic hindered urea bonds. POLYMER, 299 (126994).

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p-Tolyl isocyanate - 98%, high purity , CAS No.622-58-2