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Home> Hot Product Listed T   > T6660336
57090-45-6 structure

T6660336

Iupac Name:(2R)-3-chloropropane-1,2-diol
CAS No.:57090-45-6
Molecular Weight:110.537
Molecular Formula:C23H23N3O4 (isomer)
Names and Identifiers
Synonyms

2-{[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl](propyl)amino}-n-(2,3,4-trifluorophenyl)acetamide MCULE-8067111723 MOLPORT-009-053-479 Z642904946 ZINC45810071

Inchi
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1
InChkey
SSZWWUDQMAHNAQ-VKHMYHEASA-N
Canonical Smiles
C(C(CCl)O)O
Isomers Smiles
C([C@H](CCl)O)O
Properties
Melting Point
-40°C
Refractive Index
1.479-1.481
Alpha
-0.9 o (NEAT)
Safety and Handling
Risk Statements
R21;R23/25;R36/37/38;R62;R68
Safety Statements
S26;S36/37/39;S45
HazardClass
6.1
PackingGroup
III
Transport
UN 2689
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 JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Clarochem Ireland Ltd 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H318 Causes serious eye damage

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.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

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:110.537g/mol
  • Molecular Formula:C23H23N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:110.013
  • Monoisotopic Mass:110.013
  • Complexity:32
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:1
  • 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: AAADcYBAMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIACAAACBeggEIAAAAAAgAA AAAAAAAAAAAAAAAAAAAAAwABEAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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