CAS 10312-55-7 2-Aminoterephthalic acid - Materials / Alfa Chemistry

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2-Aminoterephthalic acid

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Catalog Number

ACM10312557-1

CAS Number

10312-55-7

Product Name

2-Aminoterephthalic acid

Structure

Category

Metal Organic Frameworks (MOFs)

Synonyms

Dimethyl 5-bromo terephthalate

IUPAC Name

2-aminoterephthalic acid

Molecular Weight

181.14

Molecular Formula

C8H7NO4

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

Purity

97%

Appearance

Light yellow to Amber to Dark green powder to crystal

Storage

Store under inert gas

Complexity

228

Covalently-Bonded Unit Count

Exact Mass

181.037508g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00134536

Monoisotopic Mass

181.037508g/mol

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

Safety Description

26-36

Signal Word

Warning

Specific Gravity

1.16

Supplemental Hazard Statements

H315-H319-H335

XLogP3