C.I. Vat Brown 3

HCID 8581CAS 131-92-0

部分構造検索類似構造を探す

基本情報

標準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
分子式: C42H23N3O6
平均分子量: 665.6 g/mol
単同位体質量: 665.15868546

概要

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

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

Amanthrene Brown RFenanthren Brown DMikethrene Brown RNyanthrene Brown RCalcoloid Brown RKCibanone Brown FGRIndanthrene Brown RNihonthrene Brown R

データベース識別子

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

物性

構造計算による物性

XLogP: 8.1
極性表面積: 142 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 51
形式電荷: 0
複雑度: 1,450

実験および物理化学的性質

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)

Melting Point356 °F (decomposes) (NTP, 1992)

Physical Description · 2 件

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

Dry Powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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.

安全と保護具

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 件

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 件

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 件

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)

化学と産業

用途と製造

U.S. Production2022: 21,164 lb

Consumer UsesDye

Industry UsesDye

General Manufacturing Information · 2 件

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