ORANGE I

• CAS: 523-44-4
• Catalog Number: ACM523444
• Category: Acid Dyes
• Molecular Weight: 350.32
• Molecular Formula: C₁₆H₁₁N₂NaO₄S
• Synonyms: Naphthol orange, Tropaeolin G, Tropaeolin 1, Orange I, Orange S, Aizen Orange I, Orange IM, Acid Orange I, Eniacid Orange I, Java Orange I, Egacid Orange GG, Acid phosphine CL, Certiqual Orange I, Hispacid Orange 1, Neklacid Orange 1, Tertracid Orange I, FDC Orange I, Acid Orange 20, Elgacid Orange 2G, Naphthalene Orange I
• IUPAC Name: sodium 4-[2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonic acid
• InChI Key: HMWJVUNISIEXFR-UHFFFAOYSA-N
• Exact Mass: 350.03400
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Safety Description: 22-24/25

Custom Q&A

What is the molecular formula of the compound with PubChem CID 135513128?

The molecular formula is C16H11N2NaO4S.

What is the molecular weight of the compound?

The molecular weight is 350.3 g/mol.

What is another name for the compound with PubChem CID 135513128?

Other names include Orange I, C.I. Acid Orange 20, and Acid Orange 20.

When was the compound created and modified in PubChem?

The compound was created on 2019-01-15 and last modified on 2023-12-23.

What is the IUPAC name of the compound?

The IUPAC name is sodium;4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate.

What is the Canonical SMILES for the compound?

The Canonical SMILES is C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].

What is the CAS number for the compound?

The CAS number is 523-44-4.

How many hydrogen bond donors does the compound have?

The compound has 1 hydrogen bond donor.

How many hydrogen bond acceptors does the compound have?

The compound has 6 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 111.2 Ų.

What is the molecular formula of Orange I?

The molecular formula of Orange I is C16H11N2NaO4S.

What is the molecular weight of Orange I?

The molecular weight of Orange I is 350.3 g/mol.

What is the IUPAC name of Orange I?

The IUPAC name of Orange I is sodium;4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate.

What is the canonical SMILES notation for Orange I?

The canonical SMILES notation for Orange I is C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].

How many hydrogen bond donors does Orange I have?

Orange I has 1 hydrogen bond donor.

What is the hydrogen bond acceptor count of Orange I?

Orange I has 6 hydrogen bond acceptors.

What is the topological polar surface area of Orange I?

The topological polar surface area of Orange I is 111Å2.

How many rotatable bonds does Orange I have?

Orange I has 3 rotatable bonds.

What is the CAS number of Orange I?

The CAS number of Orange I is 523-44-4.

What is the complexity value of Orange I?

The complexity value of Orange I is 529.

Synthetic Use

Upstream Synthesis Route 1

• 90-15-3
• 121-57-3

• 523-44-4

Reference: [1] Journal of the Chinese Chemical Society, 2009, vol. 56, # 5, p. 1018 - 1027

Downstream Synthesis Route 1

• 106-31-0
• 523-44-4

• 85679-80-7

Reference: [1]Chemical and pharmaceutical bulletin,1983,vol. 31,p. 162 - 167

Downstream Synthesis Route 2

• 523-44-4
• 108-24-7

• 57303-87-4

Reference: [1]Chemical and pharmaceutical bulletin,1983,vol. 31,p. 162 - 167

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