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Home> Hot Product Listed M   > MLS001163767
41404-58-4 structure

MLS001163767

Iupac Name:2-bromo-5-fluoropyridine
CAS No.:41404-58-4
Molecular Weight:175.988
Molecular Formula:C20H15FN4OS (isomer)
Names and Identifiers
Synonyms

2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-(2-methyl-1-phenylpropyl)acetamide 2-(1,3-dioxoisoindol-2-yl)-n-(2-methyl-1-phenylpropyl)acetamide AC1MSNIS AKOS017099043 CHEMBL1462763 HMS2870F18 MCULE-2689526068 MOLPORT-002-569-129 smr000539225 STL331002 STOCK2S-57318

Inchi
InChI=1S/C5H3BrFN/c6-5-2-1-4(7)3-8-5/h1-3H
InChkey
UODINHBLNPPDPD-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=NC=C1F)Br
Properties
Melting Point
30-31℃
Refractive Index
1.5396
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
PackingGroup
III
Transport
2811
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 41404-58-4 EC: MLS001163767 ·ECHA C&L Inventory for CAS: CAS: 41404-58-4 EC: MLS001163767
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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+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/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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

Storage

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

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:175.988g/mol
  • Molecular Formula:C20H15FN4OS
  • Compound Is Canonicalized:True
  • Exact Mass:174.943
  • Monoisotopic Mass:174.943
  • Complexity:78.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:8
  • 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: AAADcQBiAQAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHQBAAAABOADBEgw8gJIIEACg ADBnRACCgCAxAiQI2CA4ZLgIIOLAkZGEIAhggADIyhYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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