Vat Orange 9

: Iupac Name：pyranthrene-8,16-dione; CAS No.: 128-70-1; Molecular Weight：406.43; Modify Date.: 2022-10-31 04:21; Introduction: Herbicide to control grassy weeds in broadleaved crops and established turfgrass. View more+

1. Names and Identifiers

: 1.1 Name; Vat Orange 9; 1.2 Synonyms; 8,16-Pyranthrenedione Caledon Gold Orange G EINECS 204-906-9 Indanthrengoldorange G Ponsol Golden Orange G Pyranthren-8,16-dion Pyranthrene-8,16-dione pyranthrenedione Pyranthron Pyranthrone Romantrene Golden Orange FG Sandothrene Golden Orange NG Solanthrene Orange F-J Solanthrene Orange J Tinon Golden Orange G; View all

1.7 Inchi: InChI=1S/C30H14O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14H

1.9 Canonical Smiles: C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=CC=CC=C87

1.10 Isomers Smiles: C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=CC=CC=C87

2. Properties

3. Use and Manufacturing

3.1 GHS Classification: GHS Hazard Statements
Aggregated GHS information provided by 30 companies from 2 notifications to the ECHA C&L Inventory.

Reported as not meeting GHS hazard criteria by 7 of 30 companies. For more detailed information, please visit ECHA C&L website

Of the 1 notification(s) provided by 23 of 30 companies with hazard statement code(s):

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P273, and P501; View all

3.2 Usage: Herbicide to control grassy weeds in broadleaved crops and established turfgrass.

4. Safety and Handling

4.1 Safety: Safety Information of 8,16-Pyranthrenedione (CAS NO.128-70-1):
Safety Statements: 22-24/25
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes

4.2 Specification: 8,16-Pyranthrenedione , its CAS NO. is 128-70-1, the synonyms are Ahcovat Golden Orange G ; Benzadone Gold Orange G ; C.I. 59700 ; C.I. Pigment Orange 40 ; C.I. Vat Orange 9 ; Calcoloid Golden Orange GD ; Caledon Printing Orange G ; Carbanthrene Printing Golden Orange G ; Endurol Golden Orange G ; Fenanthren Golden Orange G ; Indanthren Gold Orange G ; Mikethren Gold Orange G ; Monolite Fast Gold Orange GV ; Nihonthrene Golden Orange G ; Palanthrene Gold Orange G ; Pyranthrone ; Romantrene Golden Orange FG ; Sandothrene Golden Orange NG ; Tyrian Golden Orange I-G ; Vat Orange 9 .

5. MSDS

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

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 ...

none

6. Other Information

6.0 Preparation: 8,16-Pyranthrenedione called. (a) 1-(2-Methyl-9,10-dioxoanthracene-1-yl)-2-methylanthracene-9,10-dione in 350 ~ 380 ℃ heat alone, or in low temperature with dehydrant processing, take off 2 Moore water; (b) 1-(2-Methyl-9,10-dioxoanthracene-1-yl)-2-methylanthracene-9,10-dione?aqueous cream content (with or without ammonia or salt all but), in 230 ~ 250 ℃ and under pressure heating 10 to 12 hours; (C) 1-(2-Methyl-9,10-dioxoanthracene-1-yl)-2-methylanthracene-9,10-dione?and Etanol/Potassium hydroxide heating 10 to 12 hours; (d) 1,6-Dibenzoylpyrene?with Aluminium chloride and Sodium chloride melting, and access to oxygen.

7. Computational chemical data

Molecular Weight: 406.43g/mol
Molecular Formula: C₃₀H₁₄O₂
Compound Is Canonicalized: True
XLogP3-AA: 7.3
Exact Mass: 406.099379685
Monoisotopic Mass: 406.099379685
Complexity: 763
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 34.1
Heavy Atom Count: 32
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
CACTVS Substructure Key Fingerprint: AAADccB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAAAAAADASAmAAwAMAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==