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Home> Hot Product Listed T   > T6374963
21900-54-9 structure

T6374963

Iupac Name:2-chloro-4-fluorobenzoyl chloride
CAS No.:21900-54-9
Molecular Weight:192.998
Molecular Formula:C20H25NO4S2 (isomer)
Names and Identifiers
Synonyms

1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl 2-(4-fluorophenoxy)propanoate MCULE-2526370970 MOLPORT-009-389-313 Z113375398

Inchi
InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
InChkey
POIAZJJVWRVLBO-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1F)Cl)C(=O)Cl
Properties
Vapour
0.162mmHg at 25°C
Refractive Index
1.549-1.551
Safety and Handling
Risk Statements
R29;R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
Hazard Note
H302; H314
PackingGroup
II
Transport
3265
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 21900-54-9 EC: T6374963 ·ECHA C&L Inventory for CAS: CAS: 21900-54-9 EC: T6374963
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

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

P330 Rinse mouth.

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

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

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

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:192.998g/mol
  • Molecular Formula:C20H25NO4S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.3
  • Exact Mass:191.954
  • Monoisotopic Mass:191.954
  • Complexity:163
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:11
  • 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: AAADcQBgIQAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIAAAAADAKAmCgwAIAAAACI AmBaAAACAAAkBQAIiAEAAsgIIDKBFxCAIQAggAAIjYcIiACOAAAAAAABAAAAAAAAAAIAAAAAAAAA AA==
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