2-Methyl-5-nitroaniline

• CAS: 99-55-8
• Catalog Number: ACM99558
• Category: Azoic Dyes
• Molecular Weight: 152.15
• Molecular Formula: C₈H₁₀N₂O₂S
• Hazard Statements: H314
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Methyl-5-nitroaniline?

The molecular formula of 2-Methyl-5-nitroaniline is C7H8N2O2.

What is the molecular weight of 2-Methyl-5-nitroaniline?

The molecular weight of 2-Methyl-5-nitroaniline is 152.15 g/mol.

What is the IUPAC name of 2-Methyl-5-nitroaniline?

The IUPAC name of 2-Methyl-5-nitroaniline is 2-methyl-5-nitroaniline.

What is the InChI key of 2-Methyl-5-nitroaniline?

The InChI key of 2-Methyl-5-nitroaniline is DSBIJCMXAIKKKI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-5-nitroaniline?

The canonical SMILES of 2-Methyl-5-nitroaniline is CC1=C(C=C(C=C1)[N+](=O)[O-])N.

What is the CAS number of 2-Methyl-5-nitroaniline?

The CAS number of 2-Methyl-5-nitroaniline is 99-55-8.

What is the UNII of 2-Methyl-5-nitroaniline?

The UNII of 2-Methyl-5-nitroaniline is 433MYH2DWM.

What is the UN number of 2-Methyl-5-nitroaniline?

The UN number of 2-Methyl-5-nitroaniline is 2660.

How many hydrogen bond donor groups does 2-Methyl-5-nitroaniline have?

2-Methyl-5-nitroaniline has 1 hydrogen bond donor group.

How many hydrogen bond acceptor groups does 2-Methyl-5-nitroaniline have?

2-Methyl-5-nitroaniline has 3 hydrogen bond acceptor groups.

When was 2-Methyl-5-nitroaniline created and last modified?

It was created on March 26, 2005, and last modified on December 23, 2023.

What is the color of 2-Methyl-5-nitroaniline?

It is a bright yellow powder.

Are there any synonyms for 2-Methyl-5-nitroaniline?

Yes, some synonyms include 2-Amino-4-nitrotoluene and 5-NITRO-O-TOLUIDINE.

What is the InChIKey of 2-Methyl-5-nitroaniline?

The InChIKey is DSBIJCMXAIKKKI-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-Methyl-5-nitroaniline have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Methyl-5-nitroaniline have?

It has 3 hydrogen bond acceptor counts.

What is the heavy atom count of 2-Methyl-5-nitroaniline?

The heavy atom count is 11.

Synthetic Use

Downstream Synthesis Route 1

• 99-55-8

• 23244-88-4

Reference: [1] Chemische Berichte, 1890, vol. 23, p. 3642[2] Chemische Berichte, 1892, vol. 25, p. 3152
[3] Chemische Berichte, 1890, vol. 23, p. 3642[4] Chemische Berichte, 1892, vol. 25, p. 3152

Downstream Synthesis Route 2

• 99-55-8

• 6967-12-0

Reference: [1] Chemische Berichte, 1890, vol. 23, p. 3642[2] Chemische Berichte, 1892, vol. 25, p. 3152
[3] Chemische Berichte, 1890, vol. 23, p. 3642[4] Chemische Berichte, 1892, vol. 25, p. 3152

Downstream Synthesis Route 3

• 99-55-8

• 7597-18-4

Reference: [1] Patent: US3988347, 1976, A,

Downstream Synthesis Route 4

• 85-44-9
• 99-55-8

• 33238-32-3

Reference: [1]Vamecq, Joseph; Bac, Pierre; Herrenknecht, Christine; Maurois, Pierre; Delcourt, Philippe; Stables, James P.
[Journal of Medicinal Chemistry, 2000, vol. 43, # 7, p. 1311 - 1319]
[2]Kumar, Palanichamy Santhosh; Kumar, Kuruba Bharath; Obadiah, Asir; Kumar, Suluvoy Jagadish; Mohanapriya, Raman; Durairaj, Arulappan; Ramanathan, Subramanian; Vasanthkumar, Samuel
[Asian Journal of Chemistry, 2019, vol. 31, # 11, p. 2548 - 2556]
[3]Wanag; Veinbergs
[Chemische Berichte, 1942, vol. 75, p. 1558,1567]
[4]Current Patent Assignee: Geigy & Co. - DE126964, 1800, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 6, p. 756][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 6, p. 756]

Downstream Synthesis Route 5

• 108-24-7
• 99-55-8

• 2879-79-0

Reference: [1]Chuanopparat, Nutthawat; Kraikruan, Panitan; Ngernmeesri, Paiboon; Rakchaya, Intouch; Sang-Aroon, Pattarapon
[Synlett, 2022]

Downstream Synthesis Route 6

• 79-04-9
• 99-55-8

• 35588-36-4

Reference: [1]Current Patent Assignee: BAYER AG - WO2014/147182, 2014, A2
Location in patent: Page/Page column 103
[2]Current Patent Assignee: BAYER AG - WO2014/147021, 2014, A2
Location in patent: Page/Page column 118
[3]Raiziss; Clemence
[Journal of the American Chemical Society, 1930, vol. 52, p. 2019,2022]
[4]Zhao, Lanying; Li, Yueshan; Wang, Yujiao; Qiao, Zeen; Miao, Zhuang; Yang, Jiao; Huang, Luyi; Tian, Chenyu; Li, Linli; Chen, Danian; Yang, Shengyong
[Journal of Medicinal Chemistry, 2019, vol. 62, # 23, p. 10691 - 10710]

* For details of the synthesis route, please refer to the original source to ensure accuracy.