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Home> Hot Product Listed 4   > 4-BROMO-2-FLUOROBENZALDEHYDE DIMETHYL ACETAL
25470-96-6 structure

4-BROMO-2-FLUOROBENZALDEHYDE DIMETHYL ACETAL

Iupac Name:carbon monoxide; (Z)-4-oxopent-2-en-2-olate; rhodium; triphenylphosphane
CAS No.:25470-96-6
Molecular Weight:492.308941
Molecular Formula:C7H5N3O (isomer)
Names and Identifiers
Synonyms

4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene

Inchi
InChI=1S/C18H15P.C5H8O2.CO.Rh/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)3-5(2)7;1-2;/h1-15H;3,6H,1-2H3;;/p-1/b;4-3-;;
InChkey
RHKGZYVYKXVQSD-MECAPONASA-M
Canonical Smiles
CC(=CC(=O)C)[O-].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Rh]
Isomers Smiles
C/C(=C/C(=O)C)/[O-].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.
[Rh]
Properties
Vapour
4.74E-05mmHg at 25°C
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Johnson Matthey plc 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:492.308941g/mol
  • Molecular Formula:C7H5N3O
  • Exact Mass:492.03616
  • Monoisotopic Mass:492.03616
  • Complexity:302
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.1
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
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Recommended Suppliers
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  • Tel:86-311-66600578
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  • Tel:86-21-60542966
  • Fax:86-21-61916468
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