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Home> Hot Product Listed S   > SCHEMBL12499466
393-52-2 structure

SCHEMBL12499466

Iupac Name:2-fluorobenzoyl chloride
CAS No.:393-52-2
Molecular Weight:158.557463
Molecular Formula:C10H16CLN3S (isomer)
Names and Identifiers
Synonyms

(r)-2-(3,4,5-trimethoxyphenyl)butanoic acid (R)-2-(3,4,5-Trimethoxyphenyl)butyric AK405533 AKOS027384465 mfcd06245370 ZINC6667084

Inchi
InChI=1/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChkey
RAAGZOYMEQDCTD-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)C(=O)Cl)F
Properties
Melting Point
4℃
Refractive Index
1.5355-1.5375
HS Code
29163900
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S28
HazardClass
8
PackingGroup
II
Transport
250kgs
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  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Miteni S.p.A. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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+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.

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

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:158.557463g/mol
  • Molecular Formula:C10H16CLN3S
  • XLogP3-AA:2.8
  • Exact Mass:157.993471
  • Monoisotopic Mass:157.993471
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:10
  • 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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