C.I. Vat Brown 3

HCID 8581CAS 131-92-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 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
분자식: C42H23N3O6
평균 분자량: 665.6 g/mol
단동위원소 질량: 665.15868546

개요

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

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 8.1
극성 표면적: 142 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 51
형식 전하: 0
복잡도: 1,450

실험 및 물리화학적 성질

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

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

Physical Description · 2건

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

Dry Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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.

안전 및 보호

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 · 1건

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 · 1건

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) · 1건

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)

화학 및 산업

용도 및 제조

U.S. Production2022: 21,164 lb

Consumer UsesDye

Industry UsesDye

General Manufacturing Information · 2건

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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