C.I. Vat Brown 3

HCID 8581CAS 131-92-0
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Grundinformationen

Standard-SMILES
O=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1
InChIKey
AAKMSGQPNUGLAZ-UHFFFAOYSA-N
Summenformel
C42H23N3O6
Durchschnittliche Molmasse
665,6 g/mol
Monoisotopische Masse
665,15868546

Überblick

C.i. vat brown 3 is an odorless brown to dark brown powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
C.I. Vat Brown 3
IUPAC
N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2(15),3,5(14),7(12),8,10,17,20,22,24,27-dodecaen-8-yl)benzamide

Namen und Synonyme

Vat Brown 3131-92-0C.I. VAT BROWN 3Atic Vat Brown RCaledon Brown RNovatic Brown RTinon Brown GRTinon Brown GRFAhcovat Brown ARBenzadone Brown RCalcoloid Brown RPonsol Brown ARD
Weitere Namen anzeigen
Amanthrene Brown RFenanthren Brown DMikethrene Brown RNyanthrene Brown RCalcoloid Brown RKCibanone Brown FGRIndanthrene Brown RNihonthrene Brown R

Datenbank-Bezeichner

CAS
131-92-0
PubChem CID
8581
DTXSID
DTXSID2026282
UNII
9Z11GKO85B
EC Number
205-044-6
Nikkaji
J86.412I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,1
Polarare Oberfläche (TPSA)
142 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
51

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Point356 °F (decomposes) (NTP, 1992)
Physical Description · 2 Einträge

C.i. vat brown 3 is an odorless brown to dark brown powder. (NTP, 1992)

Dry Powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 78.9% (15 of 19) of all reports.

Warning

H317 (21.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 19 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-

Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis(benzamide) (EC: 205-044-6)

Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to similar compounds include temporary skin reactions (allergic contact dermatitis).
Reactive GroupAmides and Imides
Reactivity ProfileC.I. VAT BROWN 3 is incompatible with oxidizing and reducing agents. (NTP, 1992).
Air and Water ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound may be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2022: 21,164 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information · 2 Einträge

Synthetic Dye and Pigment Manufacturing

Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,9-diyl)bis-: ACTIVE

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