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Home> Hot Product Listed 1   > 1,8-Octanedione,1,8-bis[4-(hexyloxy)phenyl]-, dioxime (9CI)
76-83-5 structure

1,8-Octanedione,1,8-bis[4-(hexyloxy)phenyl]-, dioxime (9CI)

Iupac Name:[chloro(diphenyl)methyl]benzene
CAS No.:76-83-5
Molecular Weight:278.7754
Molecular Formula:C26H25CLN4O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChkey
JBWKIWSBJXDJDT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
Properties
Melting Point
110-113℃
Boiling Point
370.4°Cat760mmHg
Refractive Index
1.5 (20 C)
Flash Point
172.4°C
HS Code
29036990
Safety and Handling
Risk Statements
R14;R34;R50/53
Safety Statements
S26;S36/37/39;S45;S61
HazardClass
8
PackingGroup
III
Transport
UN 3261
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHINOIN Pharmaceutical and Chemical Works Private Co. Ltd. 2017
QUIMICA SINTETICA, S.A. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:278.7754g/mol
  • Molecular Formula:C26H25CLN4O4
  • XLogP3-AA:5
  • Exact Mass:278.086228
  • Monoisotopic Mass:278.086228
  • Complexity:235
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:20
  • 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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