Nitroterephthalic acid

Catalog Number

ACM610297-2

Product Name

Nitroterephthalic acid

Structure

CAS

610-29-7

Category

Heterocyclic Organic Compound

Synonyms

2-NitroterephthalicAcid

IUPAC Name

2-nitroterephthalic acid

Molecular Weight

211.13

Molecular Formula

C8H5NO6

Canonical SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)

InChI Key

QUMITRDILMWWBC-UHFFFAOYSA-N

Melting Point

295 °C

Appearance

Pale yellow solid

Complexity

296

Covalently-Bonded Unit Count

1

EC Number

210-217-4

Exact Mass

211.011687g/mol

Formal Charge

0

Hazard Statements

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

H-Bond Acceptor

6

H-Bond Donor

2

Heavy Atom Count

15

MDL Number

MFCD00007141

Monoisotopic Mass

211.011687g/mol

NSC Number

75848

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.

Rotatable Bond Count

2

Signal Word

Warning

XLogP3

1

MSDS

COA

Spec Sheet