Methyl 2-amino-5-bromobenzoate

• CAS: 52727-57-8
• Catalog Number: ACM52727578
• Category: Bromine Series
• Molecular Weight: 230.06
• Molecular Formula: C8H8BrNO2
• Synonyms: Methyl 2-amino-5-bromobenzoate, 528811_ALDRICH, Methyl 5-bromo-2-aminobenzoate, ZINC00156417, CID736224, ST5307512, TL8003469, 52727-57-8
• IUPAC Name: methyl 2-amino-5-bromobenzoate
• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)Br)N
• InChI Key: QVNYNHCNNGKULA-UHFFFAOYSA-N
• Boiling Point: 286.3ºC at 760 mmHg
• Melting Point: 72-74ºC
• Flash Point: 126.9ºC
• Density: 1.578 g/cm³
• Appearance: White to light yellow crystal powder
• EC Number: 610-890-8
• Exact Mass: 228.97400
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Methyl 2-amino-5-bromobenzoate?

The molecular formula of Methyl 2-amino-5-bromobenzoate is C8H8BrNO2.

What is the molecular weight of Methyl 2-amino-5-bromobenzoate?

The molecular weight of Methyl 2-amino-5-bromobenzoate is 230.06 g/mol.

What is the IUPAC name of Methyl 2-amino-5-bromobenzoate?

The IUPAC name of Methyl 2-amino-5-bromobenzoate is methyl 2-amino-5-bromobenzoate.

What is the InChI of Methyl 2-amino-5-bromobenzoate?

The InChI of Methyl 2-amino-5-bromobenzoate is InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3.

What is the InChIKey of Methyl 2-amino-5-bromobenzoate?

The InChIKey of Methyl 2-amino-5-bromobenzoate is QVNYNHCNNGKULA-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 2-amino-5-bromobenzoate?

The canonical SMILES of Methyl 2-amino-5-bromobenzoate is COC(=O)C1=C(C=CC(=C1)Br)N.

What is the CAS number of Methyl 2-amino-5-bromobenzoate?

The CAS number of Methyl 2-amino-5-bromobenzoate is 52727-57-8.

What is the European Community (EC) number of Methyl 2-amino-5-bromobenzoate?

The European Community (EC) number of Methyl 2-amino-5-bromobenzoate is 610-890-8.

What is the DSSTox Substance ID of Methyl 2-amino-5-bromobenzoate?

The DSSTox Substance ID of Methyl 2-amino-5-bromobenzoate is DTXSID90352969.

Is Methyl 2-amino-5-bromobenzoate canonicalized?

Yes, Methyl 2-amino-5-bromobenzoate is canonicalized.