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Home> Hot Product Listed F   > F3398-2623
16672-87-0 structure

F3398-2623

CAS No.:16672-87-0
Molecular Weight:144.494001
Molecular Formula:C21H19FN2O4S (isomer)
Names and Identifiers
Synonyms

1-(4-chlorophenyl)-n-(4-(methylthio)benzyl)-5-(pyridin-3-yl)-1h-1,2,3-triazole-4-carboxamide 1-(4-chlorophenyl)-n-[4-(methylsulfanyl)benzyl]-5-(pyridin-3-yl)-1h-1,2,3-triazole-4-carboxamide 1-(4-fluorobenzyl)-n-(2-methoxyphenyl)-1h-1,2,3-benzotriazole-5-carboxamide AKOS005730081 MCULE-3673173949 MOLPORT-009-707-611 STL126766 VU0619389-1 ZINC38487506

Inchi
InChI=1/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChkey
UDPGUMQDCGORJQ-UHFFFAOYSA-N
Canonical Smiles
C(CCl)P(=O)(O)O
Properties
Melting Point
65-75℃
Vapour
2.62E-05mmHg at 25°C
HS Code
29319090
Safety and Handling
Risk Statements
R20/21;R34;R52/53
Safety Statements
S26;S28;S36/37/39;S45;S61
HazardClass
6.1
PackingGroup
II
Transport
UN 3261
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 16672-87-0 EC: F3398-2623 ·ECHA C&L Inventory for CAS: CAS: 16672-87-0 EC: F3398-2623
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 1C

Acute toxicity - Inhalation, Category 4

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

H332 Harmful if inhaled

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.

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

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

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:144.494001g/mol
  • Molecular Formula:C21H19FN2O4S
  • Exact Mass:143.974308
  • Monoisotopic Mass:143.974308
  • Complexity:86.9
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5
  • 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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