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Home> Hot Product Listed F   > F0772-0607
70458-96-7 structure

F0772-0607

CAS No.:70458-96-7
Molecular Weight:319.330823
Molecular Formula:C14H21NO3 (isomer)
Names and Identifiers
Synonyms

AC1MRR9Y AKOS024599446 MCULE-9303743925 MOLPORT-003-053-901 n-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4h-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide n-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide ZINC97985189

Inchi
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
InChkey
OGJPXUAPXNRGGI-UHFFFAOYSA-N
Canonical Smiles
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
Properties
Melting Point
220℃
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
26-37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 70458-96-7 EC: F0772-0607 ·ECHA C&L Inventory for CAS: CAS: 70458-96-7 EC: F0772-0607
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:319.330823g/mol
  • Molecular Formula:C14H21NO3
  • XLogP3-AA:_1
  • Exact Mass:319.13322
  • Monoisotopic Mass:319.13322
  • Complexity:519
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.9
  • Heavy Atom Count:23
  • 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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Recommended Suppliers
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  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Fax:86-27-13407111142
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