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Home> Hot Product Listed C   > Chromate(3-),bis[5-chloro-3-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-h...
104-55-2 structure

Chromate(3-),bis[5-chloro-3-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxybenzenesulfonato(3-)]-,sodium

Iupac Name:(E)-3-phenylprop-2-enal
CAS No.:104-55-2
EINECS(EC#): 219-883-0
Molecular Weight:132.16
Molecular Formula:C10H13NO2 (isomer)
Names and Identifiers
Synonyms

Chromate(3-), bis(5-chloro-3-((1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))-, sodium Chromate(3-), bis[5-chloro-3-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxybenzenesulfonato(3-)]-, sodium

Inchi
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChkey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Canonical Smiles
C1=CC=C(C=C1)C=CC=O
Isomers Smiles
C1=CC=C(C=C1)/C=C/C=O
Properties
Melting Point
−9-−4 °C(lit.)
Vapour
0.0265mmHg at 25°C
Refractive Index
n20/D 1.622(lit.)
HS Code
29122900
Safety and Handling
Risk Statements
36/37/38-43
Safety Statements
26-36/37
Hazard Note
H315; H317; H319; H335
PackingGroup
I; II; III
Transport
UN8027
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2014
Envigo Consulting Limited 2015
Lanxess India OR 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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:132.16g/mol
  • Molecular Formula:C10H13NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:132.058
  • Monoisotopic Mass:132.058
  • Complexity:121
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:10
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIwAIAAAACI AihSgAACAAAgAAAIiAAAAMgIICKAERCAIAAggAAIiYcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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