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Home> Hot Product Listed F   > F0612-0164
16773-42-5 structure

F0612-0164

Iupac Name:1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CAS No.:16773-42-5
Molecular Weight:219.6256
Molecular Formula:C23H18N2O2 (isomer)
Names and Identifiers
Synonyms

2-((3-(2-methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-n-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide 2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-n-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide AB00684620-01 AC1N8Q4S AKOS024587462 CCG-28292 MCULE-5068452397 MOLPORT-003-033-695

Inchi
InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
InChkey
IPWKIXLWTCNBKN-UHFFFAOYSA-N
Canonical Smiles
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Properties
Melting Point
85-90℃
Vapour
1.23E-08mmHg at 25°C
Refractive Index
1.617
Safety and Handling
Risk Statements
R22
Safety Statements
36
HazardClass
IRRITANT
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 16773-42-5 EC: F0612-0164 ·ECHA C&L Inventory for CAS: CAS: 16773-42-5 EC: F0612-0164
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:219.6256g/mol
  • Molecular Formula:C23H18N2O2
  • XLogP3-AA:0.6
  • Exact Mass:219.041069
  • Monoisotopic Mass:219.041069
  • Complexity:211
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:83.9
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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