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Home> Hot Product Listed M   > MAYBRIDGE1_007468
17455-13-9 structure

MAYBRIDGE1_007468

CAS No.:17455-13-9
Molecular Weight:264.31536
Molecular Formula:C23H17NO5 (isomer)
Names and Identifiers
Synonyms

AC1Q33Y3 CCG-48599 DTXSID60372311 ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1h-pyrazole-5-carboxylate HMS562L10 MCULE-3851480261 MOLPORT-001-840-810 SCHEMBL6791679 SR-01000638130-1 ZINC107014

Inchi
InChI=1/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChkey
XEZNGIUYQVAUSS-UHFFFAOYSA-N
Canonical Smiles
C1COCCOCCOCCOCCOCCO1
Properties
Melting Point
36-40℃
Vapour
4.09E-06mmHg at 25°C
Refractive Index
1.4577 (50 C)
HS Code
29329995
Safety and Handling
Risk Statements
R20/22;R36
Safety Statements
S26;S39
HazardClass
6.1(b)
PackingGroup
III
Transport
2811
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 17455-13-9 EC: MAYBRIDGE1_007468 ·ECHA C&L Inventory for CAS: CAS: 17455-13-9 EC: MAYBRIDGE1_007468
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:264.31536g/mol
  • Molecular Formula:C23H17NO5
  • XLogP3-AA:_0.7
  • Exact Mass:264.157289
  • Monoisotopic Mass:264.157289
  • Complexity:108
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:55.4
  • Heavy Atom Count:18
  • 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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