3-Chloro-2-methylaniline

• CAS: 87-60-5
• Catalog Number: ACM87605
• Category: Azoic Dyes
• Molecular Weight: 141.60
• Molecular Formula: C₇H₈BrNO₂S
• Hazard Statements: H301 + H311-H315-H317-H319-H410
• RIDADR: UN 2735PSN1 8 / PGII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 3-Chloro-2-methylaniline?

The molecular formula of 3-Chloro-2-methylaniline is C7H8ClN.

What is the molecular weight of 3-Chloro-2-methylaniline?

The molecular weight of 3-Chloro-2-methylaniline is 141.60 g/mol.

What is the IUPAC name of 3-Chloro-2-methylaniline?

The IUPAC name of 3-Chloro-2-methylaniline is 3-chloro-2-methylaniline.

What is the InChIKey of 3-Chloro-2-methylaniline?

The InChIKey of 3-Chloro-2-methylaniline is ZUVPLKVDZNDZCM-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-2-methylaniline?

The canonical SMILES of 3-Chloro-2-methylaniline is CC1=C(C=CC=C1Cl)N.

What is the CAS number of 3-Chloro-2-methylaniline?

The CAS number of 3-Chloro-2-methylaniline is 87-60-5.

What is the XLogP3 value of 3-Chloro-2-methylaniline?

The XLogP3 value of 3-Chloro-2-methylaniline is 3.

How many hydrogen bond donor counts does 3-Chloro-2-methylaniline have?

3-Chloro-2-methylaniline has 1 hydrogen bond donor count.

How many rotatable bond counts does 3-Chloro-2-methylaniline have?

3-Chloro-2-methylaniline has 0 rotatable bond count.

What is the topological polar surface area of 3-Chloro-2-methylaniline?

The topological polar surface area of 3-Chloro-2-methylaniline is 26.2.

What is the InChI of 3-Chloro-2-methylaniline?

The InChI of 3-Chloro-2-methylaniline is InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3.

How many hydrogen bond donor count does 3-Chloro-2-methylaniline have?

3-Chloro-2-methylaniline has 1 hydrogen bond donor count.

How many rotatable bond count does 3-Chloro-2-methylaniline have?

3-Chloro-2-methylaniline has 0 rotatable bond count.

Synthetic Use

Downstream Synthesis Route 1

• 87-60-5

• 13096-96-3

Reference: [1] Patent: WO2009/42607, 2009, A1, . Location in patent: Page/Page column 74

Downstream Synthesis Route 2

• 87-60-5
• 56-81-5

• 78941-93-2

Reference: [1] Journal of Organic Chemistry, 2014, vol. 79, # 11, p. 5379 - 5385
[2] Chemistry - A European Journal, 2016, vol. 22, # 32, p. 11165 - 11169
[3] Organic Letters, 2017, vol. 19, # 8, p. 2086 - 2089

Downstream Synthesis Route 3

• 87-60-5
• 107-18-6

• 78941-93-2

Reference: [1] Chemistry - A European Journal, 2017, vol. 23, # 63, p. 15874 - 15878

Downstream Synthesis Route 4

• 108-24-7
• 87-60-5

• 7463-35-6

Reference: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 3015 - 3025

Downstream Synthesis Route 5

• 100-52-7
• 87-60-5
• 127-17-3

• 500346-26-9

Reference: [1]Lutz et al.
[Journal of the American Chemical Society, 1946, vol. 68, p. 1810]

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