Cas no 2947-60-6 ((3-Methylphenyl)acetonitrile)
(3-Methylphenyl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-Methylphenyl)acetonitrile
- 3-Methylphenylacetonitrile
- 3-Methylbenzyl cyanide~3-Methylphenylacetonitrile
- m-Tolylacetonitrile
- m-Xylyl Cyanide
- (3-Methylphenyl)acetonitrile
- 3-Methylbenzyl cyanide
- 2-(m-methylphenyl)acetonitrile
- 3-methyl-benzeneacetonitrile
- meta-methylbenzyl cyanide
- m-Methylbenzyl cyanide
- m-methylphenylacetonitrile
- M-Tolyacetonitrile
- 2-(m-tolyl)acetonitrile
- 3-Methylbenzylcyanide
- Benzeneacetonitrile, 3-methyl-
- 2-m-tolylacetonitrile
- 2-(3-methylphenyl)ethanenitrile
- WOJADIOTNFDWNQ-UHFFFAOYSA-N
- 3-Tolylacetonitrile
- 3-methyl benzylcyanide
- 3-methyl-benzyl cyani
- CS-W005445
- X0046
- NSC 20695
- MFCD00001914
- DTXSID30183673
- VK65R23ZZK
- SCHEMBL625612
- NSC20695
- Z285131450
- 2947-60-6
- 3-methyl-benzyl cyanide
- BP-11282
- FS-4421
- 3-Methylbenzyl cyanide, 98%
- SY046497
- EN300-39607
- A5495
- AC-16936
- (3-methylphenyl)-acetonitrile
- NSC-20695
- CK2045
- FT-0628959
- A819927
- 3-Methylbenzeneacetonitrile
- UNII-VK65R23ZZK
- NS00028712
- J-017536
- A820305
- AKOS000154017
- EINECS 220-962-7
- DB-047589
- 1-methyl-3-cyanomethylbenzene
- STL168033
- 220-962-7
- DTXCID70106164
-
- MDL: MFCD00001914
- Inchi: 1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3
- InChI Key: WOJADIOTNFDWNQ-UHFFFAOYSA-N
- SMILES: N#CCC1C=CC=C(C)C=1
- BRN: 1099644
Computed Properties
- Exact Mass: 131.07300
- Monoisotopic Mass: 131.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 2.1
- Topological Polar Surface Area: 23.8
Experimental Properties
- Color/Form: Not available
- Density: 1.002?g/mL?at 25?°C(lit.)
- Melting Point: >230 °F
- Boiling Point: 130°C/10mmHg(lit.)
- Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C - Refractive Index: n20/D 1.52(lit.)
- Water Partition Coefficient: Insoluble
- PSA: 23.79000
- LogP: 2.06108
- Solubility: Insoluble in water
(3-Methylphenyl)acetonitrile Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H301+H311+H331-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazardous Material transportation number:UN 3276 6.1/PG 3
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26-S37/39-S36/37
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Packing Group:III
- Hazard Level:6.1
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R20/21/22
- Storage Condition:Store in a cool, dry place. Store in tightly closed containers.
(3-Methylphenyl)acetonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
(3-Methylphenyl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 092558-1g |
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2947-60-6 | 95% | 1g |
£10.00 | 2022-02-28 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | M31600-25G |
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| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M837943-25g |
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¥322.00 | 2022-09-01 | |
| TRC | M288715-1g |
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$ 125.00 | 2022-06-04 | ||
| TRC | M288715-10g |
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$ 160.00 | 2022-06-04 | ||
| TRC | M288715-50g |
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$ 220.00 | 2022-06-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M67530-5g |
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¥66.0 | 2021-09-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M67530-100g |
2-(3-Methylphenyl)acetonitrile |
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¥606.0 | 2021-09-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M67530-25g |
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¥156.0 | 2021-09-04 | ||
| eNovation Chemicals LLC | Y1191546-100g |
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$130 | 2024-07-20 |
(3-Methylphenyl)acetonitrile Suppliers
(3-Methylphenyl)acetonitrile Related Literature
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Subrata Chakraborty,Gregory Leitus,David Milstein Chem. Commun. 2016 52 1812
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Michael North,Marta Omedes-Pujol,Carl Young Org. Biomol. Chem. 2012 10 4289
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3. Mechanism of aromatic bromination by hypobromous acid in aqueous perchloric acid. Kinetic evidence against the prior formation of ‘positive bromine’H. M. Gilow,John H. Ridd J. Chem. Soc. Perkin Trans. 2 1973 1321
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5. Naturally occurring dibenzofurans. Part 4. Synthesis of dibenzofurandiols by annelation of benzofuransChristopher F. Carvalho,Melvyn V. Sargent J. Chem. Soc. Perkin Trans. 1 1984 1605
Additional information on (3-Methylphenyl)acetonitrile
Exploring the Properties and Applications of (3-Methylphenyl)acetonitrile (CAS No. 2947-60-6)
(3-Methylphenyl)acetonitrile, with the CAS number 2947-60-6, is an important organic compound widely used in chemical synthesis and pharmaceutical research. This aromatic nitrile is known for its versatile applications, particularly in the development of fine chemicals and intermediates. Its molecular structure, featuring a methylphenyl group attached to an acetonitrile moiety, makes it a valuable building block in organic chemistry.
The compound is often searched under terms like "(3-Methylphenyl)acetonitrile uses", "CAS 2947-60-6 properties", and "m-Tolylacetonitrile synthesis", reflecting its relevance in both academic and industrial settings. Researchers and manufacturers frequently inquire about its solubility, stability, and reactivity, which are critical for optimizing synthetic pathways.
One of the trending topics in organic chemistry is the development of sustainable synthetic methods. (3-Methylphenyl)acetonitrile plays a role in this context, as it can be used in green chemistry applications, such as catalytic processes that minimize waste. Its compatibility with biocatalysts and metal-free reactions aligns with the growing demand for eco-friendly chemical production.
In the pharmaceutical industry, (3-Methylphenyl)acetonitrile is a key intermediate for the synthesis of active pharmaceutical ingredients (APIs). Its derivatives are explored for potential therapeutic applications, including anti-inflammatory and antimicrobial agents. Recent studies have also investigated its role in drug discovery, particularly in the design of small-molecule inhibitors.
The compound's physical and chemical properties are well-documented, with a molecular weight of 131.17 g/mol and a boiling point of approximately 230°C. Its aromatic character and nitrile functionality contribute to its reactivity in nucleophilic substitution and condensation reactions. These traits make it a popular choice for organic synthesis and material science applications.
From an industrial perspective, (3-Methylphenyl)acetonitrile is valued for its role in producing agrochemicals, dyes, and flavors. Its derivatives are used in crop protection formulations and fragrance manufacturing, addressing the needs of diverse sectors. The compound's stability under various conditions ensures its suitability for large-scale production.
Safety and handling of (3-Methylphenyl)acetonitrile are frequently discussed topics. While it is not classified as a hazardous material, proper laboratory practices should be followed, including the use of personal protective equipment (PPE) and adequate ventilation. Researchers often search for "CAS 2947-60-6 safety data" to ensure compliance with regulatory standards.
In conclusion, (3-Methylphenyl)acetonitrile (CAS No. 2947-60-6) is a multifaceted compound with significant applications in pharmaceuticals, agrochemicals, and material science. Its role in green chemistry and drug discovery highlights its ongoing relevance in modern research. As industries continue to innovate, this compound remains a cornerstone in the development of advanced chemical solutions.
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