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Home> Hot Product Listed F   > F5621-0262
121-92-6 structure

F5621-0262

Iupac Name:3-nitrobenzoic acid
CAS No.:121-92-6
Molecular Weight:167.1189
Molecular Formula:C8H10OS (isomer)
Names and Identifiers
Synonyms

2-(4-((1-methyl-1h-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)-n-((tetrahydrofuran-2-yl)methyl)acetamide AKOS024515948 MCULE-9521021251 MOLPORT-009-739-767 VU0649179-1

Inchi
InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChkey
AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Properties
Melting Point
140-142℃
Vapour
3.26E-05mmHg at 25°C
HS Code
29163900
Safety and Handling
Risk Statements
R33
Safety Statements
S24/25
PackingGroup
Z01
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:167.1189g/mol
  • Molecular Formula:C8H10OS
  • XLogP3-AA:1.8
  • Exact Mass:167.021858
  • Monoisotopic Mass:167.021858
  • Complexity:198
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.1
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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