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Home> Hot Product Listed S   > STK928633
98-80-6 structure

STK928633

CAS No.:98-80-6
Molecular Weight:121.92958
Molecular Formula:C18H22N4O3S (isomer)
Names and Identifiers
Synonyms

AKOS005658656 AKOS032410516 BG00757772 MCULE-5399561725 MOLPORT-008-332-216 MOLPORT-009-651-496 n-(4-bromo-2-fluorophenyl)-2-[(3s)-2,5-dioxo-3,4-dihydro-1h-1,4-benzodiazepin-3-yl]acetamide n-(4-bromo-2-fluorophenyl)-2-[(3s)-2-hydroxy-5-oxo-4,5-dihydro-3h-1,4-benzodiazepin-3-yl]acetamide STOCK7S-07867 ZINC49547810

Inchi
InChI=1/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Properties
Melting Point
217-220℃
Refractive Index
1.534
HS Code
29310095
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S36/37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 98-80-6 EC: STK928633 ·ECHA C&L Inventory for CAS: CAS: 98-80-6 EC: STK928633
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:121.92958g/mol
  • Molecular Formula:C18H22N4O3S
  • Exact Mass:122.05391
  • Monoisotopic Mass:122.05391
  • Complexity:79.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:9
  • 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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