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Home> Hot Product Listed T   > T6887571
4075-81-4 structure

T6887571

Iupac Name:calcium propanoate
CAS No.:4075-81-4
Molecular Weight:186.2192
Molecular Formula:C9H7BRN6OS2 (isomer)
Names and Identifiers
Synonyms

MCULE-6856506742 MOLPORT-009-586-086 n,n,1,3-tetramethyl-4-{[(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl}-1h-pyrazol-5-amine Z991033606

Inchi
InChI=1/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
Canonical Smiles
CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
Properties
Melting Point
300℃
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
DURA EUROPE S.A.U. 2013
Huntsman Pigments (UK) Ltd 2016
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:186.2192g/mol
  • Molecular Formula:C9H7BRN6OS2
  • Exact Mass:186.0205
  • Monoisotopic Mass:186.0205
  • Complexity:34.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3
  • 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
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