2-Aminoterephthalic acid

• CAS: 10312-55-7
• Catalog Number: ACM10312557-1
• Category: Other Products
• Molecular Weight: 181.14
• Molecular Formula: C8H7NO4
• Synonyms: Dimethyl 5-bromo terephthalate
• IUPAC Name: 2-aminoterephthalic acid
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)N)C(=O)O
• InChI: InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
• InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-N
• Melting Point: 248 °C
• Appearance: Light yellow to Amber to Dark green powder to crystal
• Storage: Store under inert gas
• Complexity: 228
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 181.037508g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 13
• MDL Number: MFCD00134536
• Monoisotopic Mass: 181.037508g/mol
• Physical State: Yellow solid
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.62
• Rotatable Bond Count: 2
• Safety Description: 26-36
• Signal Word: Warning
• Specific Gravity: 1.16
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 1.6

Custom Q&A

What is the molecular formula of 2-Aminoterephthalic acid?

The molecular formula of 2-Aminoterephthalic acid is C8H7NO4.

When was 2-Aminoterephthalic acid created?

2-Aminoterephthalic acid was created on 2005-07-19.

What is the molecular weight of 2-Aminoterephthalic acid?

The molecular weight of 2-Aminoterephthalic acid is 181.15 g/mol.

How many hydrogen bond donor counts are there in 2-Aminoterephthalic acid?

There are 3 hydrogen bond donor counts in 2-Aminoterephthalic acid.

What is the canonical SMILES notation for 2-Aminoterephthalic acid?

The canonical SMILES notation for 2-Aminoterephthalic acid is C1=CC(=C(C=C1C(=O)O)N)C(=O)O.

What is the InChIKey for 2-Aminoterephthalic acid?

The InChIKey for 2-Aminoterephthalic acid is GPNNOCMCNFXRAO-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts are there in 2-Aminoterephthalic acid?

There are 5 hydrogen bond acceptor counts in 2-Aminoterephthalic acid.

What is the exact mass of 2-Aminoterephthalic acid?

The exact mass of 2-Aminoterephthalic acid is 181.03750770 g/mol.

Is 2-Aminoterephthalic acid a canonicalized compound?

Yes, 2-Aminoterephthalic acid is a canonicalized compound.

What is the topological polar surface area of 2-Aminoterephthalic acid?

The topological polar surface area of 2-Aminoterephthalic acid is 101.2.