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Home> Hot Product Listed T   > T6877833
120-83-2 structure

T6877833

Iupac Name:2,4-dichlorophenol
CAS No.:120-83-2
Molecular Weight:162.997
Molecular Formula:C19H14N8O (isomer)
Names and Identifiers
Synonyms

2-methyl-n-[phenyl(thiophen-2-yl)methyl]quinoline-4-carboxamide MCULE-3674112759 MOLPORT-009-364-797 Z89581484

Inchi
InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChkey
HFZWRUODUSTPEG-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1Cl)Cl)O
Properties
Melting Point
41-44℃
Vapour
0.136mmHg at 25°C
HS Code
29081000
Safety and Handling
Risk Statements
R22;R24;R34;R51/53
Safety Statements
S26;S36/37/39;S45;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 2021/2928
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H411 Toxic 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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:162.997g/mol
  • Molecular Formula:C19H14N8O
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:161.964
  • Monoisotopic Mass:161.964
  • Complexity:97.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:9
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBgIAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACAAACAaAkCAwBoAAAgCA ACBCAAACAAAgJUAIiAAGC4gIJiKDExKAcAAkwBEImAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAA AA==
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