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Home> Hot Product Listed Z   > ZINC49403954
7758-23-8 structure

ZINC49403954

Iupac Name:calcium;dihydrogen phosphate
CAS No.:7758-23-8
Molecular Weight:234.05
Molecular Formula:C16H17FN2O3S (isomer)
Names and Identifiers
Synonyms

5-chloro-3-[(4-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)methyl]-1-methyl-1h-indole AKOS021973135 F3406-7035 MCULE-1425005902 MOLPORT-009-716-009 n-(benzo[d][1,3]dioxol-5-yl)-2-(6-cyclopropyl-5,7-dioxo-6,7-dihydroisothiazolo[4,3-d]pyrimidin-4(5h)-yl)acetamide VU0624259-1

Inchi
InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChkey
YYRMJZQKEFZXMX-UHFFFAOYSA-L
Canonical Smiles
OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
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  
FULL JOINT 100000_1000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BK Giulini GmbH 2015
Borealis Agrolinz Melamine GmbH 2014
Budenheim Iberica S.L.U. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:234.05g/mol
  • Molecular Formula:C16H17FN2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:233.901
  • Monoisotopic Mass:233.901
  • Complexity:49.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:161A^2
  • Heavy Atom Count:11
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcYAAPAMAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAA QAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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