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Home> Hot Product Listed 2   > 2-(4-trifluoromethyl-phenyl)-pyridin-3-ylamine
594-72-9 structure

2-(4-trifluoromethyl-phenyl)-pyridin-3-ylamine

Iupac Name:1,1-dichloro-1-nitroethane
CAS No.:594-72-9
Molecular Weight:143.95672
Molecular Formula:C11H12N2O2S (isomer)
Names and Identifiers
Synonyms

2-(4-(trifluoromethyl)phenyl)pyridin-3-amine 2-[4-(trifluoromethyl)phenyl]-3-aminopyridine AK514659 AKOS017560649 ZINC4244126

Inchi
InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3
InChkey
OQOGEOLRYAOSKO-UHFFFAOYSA-N
Canonical Smiles
CC([N+](=O)[O-])(Cl)Cl
Properties
Refractive Index
1.467
Safety and Handling
Risk Statements
23/24/25
Safety Statements
Poison by ingestion and intraperitoneal routes. Moderately toxic by inhalation. A strong irritant. Inhalation causes pulmonary edema. A fumigant for produce. Flammable when exposed to heat, flame, or oxidizers. Can react vigorously with oxidizing materials. To fight fire, use water, CO2, dry chemical. When heated to decomposition it emits highly toxic fumes of Cl− and NOx.Analytical Methods:   For occupational chemical analysis use NIOSH: see 1,1-DICHLORO-1-NITROETHANE, 1601.
HazardClass
6.1(a)
PackingGroup
II
Transport
2650
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/…

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:143.95672g/mol
  • Molecular Formula:C11H12N2O2S
  • Exact Mass:142.954084
  • Monoisotopic Mass:142.954084
  • Complexity:86.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.8
  • Heavy Atom Count:7
  • 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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