2-Amino-3-bromo-5-nitrobenzonitrile

• CAS: 17601-94-4
• Catalog Number: ACM17601944
• Category: Bromine Series
• Molecular Weight: 242.03
• Molecular Formula: C₇H₄BrN₃O₂
• Synonyms: 516929_ALDRICH, 2-Amino-3-bromo-5-nitrobenzonitrile, ZINC03878826, CID87173, EINECS 241-574-4, 2-Amino-3-bromo-1-cyano-5-nitrobenzene, Benzonitrile, 2-amino-3-bromo-5-nitro-, ST010156, 17601-94-4
• IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile
• Canonical SMILES: C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]
• InChI Key: MUHLVSZIVTURCZ-UHFFFAOYSA-N
• Boiling Point: 374.8ºC at 760 mmHg
• Melting Point: 180-185ºC
• Flash Point: 180.5ºC
• Density: 1.88 g/cm³
• Appearance: yellow powder.
• EC Number: 241-574-4
• Exact Mass: 240.94900
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Amino-3-bromo-5-nitrobenzonitrile?

The molecular formula of 2-Amino-3-bromo-5-nitrobenzonitrile is C7H4BrN3O2.

What is the molecular weight of 2-Amino-3-bromo-5-nitrobenzonitrile?

The molecular weight of 2-Amino-3-bromo-5-nitrobenzonitrile is 242.03 g/mol.

What is the IUPAC name of 2-Amino-3-bromo-5-nitrobenzonitrile?

The IUPAC name of 2-Amino-3-bromo-5-nitrobenzonitrile is 2-amino-3-bromo-5-nitrobenzonitrile.

What is the InChI of 2-Amino-3-bromo-5-nitrobenzonitrile?

The InChI of 2-Amino-3-bromo-5-nitrobenzonitrile is InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2.

What is the InChIKey of 2-Amino-3-bromo-5-nitrobenzonitrile?

The InChIKey of 2-Amino-3-bromo-5-nitrobenzonitrile is MUHLVSZIVTURCZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Amino-3-bromo-5-nitrobenzonitrile?

The canonical SMILES of 2-Amino-3-bromo-5-nitrobenzonitrile is C1=C(C=C(C(=C1C#N)N)Br)[N+](=O)[O-].

What is the CAS number of 2-Amino-3-bromo-5-nitrobenzonitrile?

The CAS number of 2-Amino-3-bromo-5-nitrobenzonitrile is 17601-94-4.

What is the European Community (EC) number of 2-Amino-3-bromo-5-nitrobenzonitrile?

The European Community (EC) number of 2-Amino-3-bromo-5-nitrobenzonitrile is 241-574-4.

What is the DSSTox Substance ID of 2-Amino-3-bromo-5-nitrobenzonitrile?

The DSSTox Substance ID of 2-Amino-3-bromo-5-nitrobenzonitrile is DTXSID3066219.

Is 2-Amino-3-bromo-5-nitrobenzonitrile a canonicalized compound?

Yes, 2-Amino-3-bromo-5-nitrobenzonitrile is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 17420-30-3

• 17601-94-4
• 73894-38-9

Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1986,vol. 328,p. 497 - 514

Downstream Synthesis Route 1

• 2401-85-6
• 17601-94-4

• 68105-55-5

Reference: [1]Patent: DE2708440,1978,A1

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