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レーキレッドCBA

D&C Red 9

HCID 21238
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
5160-02-1
標準SMILES
Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Ba+2]
InChIKey
POJOORKDYOPQLS-UHFFFAOYSA-L
分子式
Ba(C17H12ClN2O4S)2
平均分子量
888.9 g/mol
単同位体質量
887.946509

概要

D&C Red No. 9 can cause cancer according to The Food and Drug Administration (FDA) and The National Toxicology Program.

名称と識別子

優先名称
D&C Red 9
IUPAC
barium(2+);bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate)
現地名
レーキレッドCBA
英語名
Pigment Red 53:1
分子式
C34H24BaCl2N4O8S2
分子量
888.94

名称と別名

Brilliant RedHamilton RedPotomac RedRed ScarletScarlet Toner YSegnale Red LCGSegnale Red LCLBronze Red ROVulcan Red LCRed Toner ZIrgalite Red CBTIrgalite Red MBC
名称をさらに表示
レーキレッドCBADandCレッド9ビス[5-クロロ-2-[(2-ヒドロキシ-1-ナフタレニル)アゾ]-4-メチルベンゼンスルホン酸]バリウムレーキレッドCバリウム赤色204号ビス[2-(2-ヒドロキシ-1-ナフチルアゾ)-4-メチル-5-クロロベンゼンスルホン酸]バリウムC.I.ピグメントレッド53:1ビス[5-クロロ-2-(2-ヒドロキシ-1-ナフチルアゾ)-4-メチルベンゼンスルホン酸]バリウムD&CレッドNo.91-(4-クロロ-o-スルホ-5-トリルアゾ)-2-ナフトールバリウムピグメントレッド53D&Cレッドナンバー9({5-クロロ-2-[2-(2-ヒドロキシナフタレン-1-イル)ジアゼン-1-イル]-4-メチルベンゼンスルホニル}オキシ)バリオ 5-クロロ-2-[2-(2-ヒドロキシナフタレン-1-イル)ジアゼン-1-イル]-4-メチルベンゼン-1-スルホナートピグメントレッド53:1標準品トナーTonerRed 53:1C.I. 15585:1redzhbAKA2041860redd&cred9

物性

構造計算による物性

極性表面積
221 Ų
水素結合供与体数
2
水素結合受容体数
12
回転可能結合数
4
重原子数
51
形式電荷
0
複雑度
581

実験および物理化学的性質

Chemical ClassesDyes -> Azo Dyes
Polymers · 2 件

Plastics -> Polyolefin-I; PVC (soft); PVC (rigid)

Plastics -> Pigments agents

Density · 3 件

1.73 (NTP, 1992) - Denser than water; will sink

1.66 g/cu cm

1.66 @25 °C

Color/FormRed powder
Solubility · 2 件

less than 0.1 mg/mL at 64 °F (NTP, 1992)

SLIGHTLY SOL IN WATER & ETHANOL; INSOL IN ACETONE & BENZENE

Melting Point · 2 件

649 to 653 °F (decomposes) (NTP, 1992)

343-345 °C (decomposes)

Physical Description · 2 件

D&c red 9 appears as odorless yellowish-red or reddish-orange powder. (NTP, 1992)

Red solid; [HSDB] Red powder; [MSDSonline]

物理化学的性質

融点
343 · 343-345°C
比重(密度)
1.66 g/cm3 · 1.66 g/cm3
溶解性
2 · DMSO : Ethylene Glycol = 2:1 (Slightly)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 70.4% (333 of 473) of all reports.

Warning

H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 473 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1)

Hazard Traits - Carcinogenicity

REACH registered substance: Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate] (EC: 225-935-3)

C. I. Pigment Red 53:1: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1): Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of sulfur oxides, nitrogen oxides and chlorine. (NTP, 1992)
Hazards Summary · 1 件

Toxic by ingestion or inhalation of dispersed powder; May have effects on the blood and spleen; [ICSC] Causes splenomegaly in high-dose feeding studies of rats; [HSDB] A mild eye irritant; May cause skin sensitization; [MSDSonline] No reported adverse effects in humans; Approved for use in drugs and cosmetics; [AIHA]

化学と産業

用途と製造

Uses · 6 件

Used in printing inks, coated papers, crayons, cosmetics, drugs, paints, polystyrene, rubber, tin printing, and baking enamels; [HSDB]

Drug and cosmetic use in the US was last approved in 1988; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

IN MFR OF ALKALINE EARTH METAL SALTS, WHICH ARE USED IN MFR OF COLORING INKS, PLASTICS & RUBBER; IN COSMETICS & DRUGS

IN PAINTS

Used in some countries in the cosmetics and drug industry in such applications as a lipstick colorant, mouthwashes, dentrifrices and drugs...the last year in which it was approved as a D&C color (in the US) was 1988.

Impurities · 1 件

Analysis of commercial samples of D&C Red No 9 revealed the presence of 11 aromatic azo compounds (subsiduary colours), at levels up to 27 ppm (mg/kg), derived from aromatic impurities in the Red Lake C Amine (2-amino- 4-methyl-5-chlorobenzenesulfonic acid) precursor

U.S. Imports · 3 件

(1977) 1.67X10+6 GRAMS

(1979) 1.30X10+7 GRAMS

119,553 lbs (principal US custom districts)

U.S. Production · 3 件

(1977) 5.18X10+7 GRAMS

(1979) 4.24X10+7 GRAMS

1,500,000 kg (1992)

Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of Manufacturing · 2 件

COUPLING OF DIAZOTIZED 2-AMINO-5-CHLORO-PARA-TOLUENESULFONIC ACID WITH 2-NAPHTHOL, THEN BOILING WITH BARIUM CHLORIDE

Involves three steps...the diazotization step involves reacting 2-amino-4- methyl-5-chlorobenzenesulfonic acid with hydrochloric acid and sodium nitrite to form the diazonium chloride moeity...the coupling step involves mixing the diazonium chloride solution with the coupling component (2-naphthol)...then adding barium chloride to form CI Pigment Red 53:1

Formulations/Preparations · 3 件

D & C RED NO 9 USED IN DRUGS & COSMETICS MUST CONTAIN MIN OF 87% PURE COMPD. SPECIFICATIONS FOR COLOR REFERENCE STANDARD...REQUIRE MIN OF 96.5% PURE COLOR.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
red1860
d&cred#9
redlakec
Lake Red C Barium TonerParidine Red LCLBronze Scarlet CTD & C red no. 9Lake Red CCLake Red CCTLake Red CRLake Red RRG

データベース識別子

CAS
5160-02-1
PubChem CID
21238
DTXSID
DTXSID3021229
ChEBI
CHEBI:82435
UNII
1FO1ZO92Y1
EC Number
225-935-3
外見
powder to crystal
色
Orange to Red
水溶解度
0.01 g/100 · <0.01 g/100 mL で 18 ºC
安定性
Light Sensitive
化粧品成分の機能
着色剤
InChI
InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;
InChIKey
POJOORKDYOPQLS-FFRZOONGSA-L
SMILES
C12C=CC=CC1=CC=C(O)C=2/N=N/C1C=C(C)C(Cl)=CC=1S([O-])(=O)=O.C12C=CC=CC1=CC=C(O)C=2/N=N/C1C=C(C(Cl)=CC=1S([O-])(=O)=O)C.[Ba+2]
CAS データベース
5160 · 5160-02-1(CAS DataBase Reference)
EPAの化学物質情報
53 · C.I. Pigment Red 53, barium salt (2:1) (5160-02-1)
Reactive Group
Azo, Diazo, Azido, Hydrazine, and Azide Compounds
Special ReportsDHHS/NTP; Carcinogenesis Bioassay of D&C Red No.9 in F344/N Rats and B6C3F1 Mice Technical Report Series No. 225 (1982) NIH Publication No. 82-1781
Reactivity AlertsExplosive
Reactivity ProfileD&C RED 9 is incompatible with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsCan be explosive when suspended in air at specific concentrations. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (23.5%)

安全と保護具

Fire FightingFires involving this material can 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.

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Protective Action Criteria (PAC) · 3 件

3.0 [mg/m3]

130 [mg/m3]

790 [mg/m3]

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 a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

毒性情報

Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=5160-02-1]

Natural Pollution SourcesD & C RED NO 9 IS NOT KNOWN TO OCCUR IN NATURE.
Carcinogen Classification · 6 件

D & C Red No. 9

Group 3: Not classifiable as to its carcinogenicity to humans

Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

1993

1992

D & C Red No. 9

Non-Human Toxicity Excerpts · 5 件

...5 MALE & 5 FEMALE OSBORNE-MENDEL RATS WERE FED 2500, 5000, 10,000 OR 20,000 MG D & C RED NO 9 PER KG OF DIET FOR 20 WK. SPLENOMEGALY OCCURRED IN ALL TREATED RATS.

...25 MALE & 25 FEMALE OSBORNE-MENDEL RATS WERE FED 0 (CONTROL), 100, 500, 2500 OR 10,000 MG.../KG OF DIET. ...RATS DEVELOPING TUMORS IN RESPECTIVE GROUPS...22/50 (CONTROLS), 19/50, 23/50, 27/50 & 21/50. ... TUMORS NOT OCCURRING IN CONTROL...INCL FIBROSARCOMAS...EPIDERMOID CARCINOMAS...INTERSTITIAL-CELL ADENOMA OF TESTIS...

Groups of 25 male and 25 female Osborne-Mendel rats, three weeks of age, were fed 1, 100, 500, 2500, or 10,000 mg/kg of diet (ppm) D&C Red No. 9 (purity, greater than or equal 86% (impurities unspecified)) for up to 103-108 weeks, when all surviving animals were killed. About 80% of rats in all groups survived 18 months or longer. There was no significant increase in the incidence of tumors at any sites.

Groups of 50 male and 50 female ICR (Swiss Webster-derived) mice (age unspecified) received topical application of 1 mg D&C Red No. 9 (90.0% pure (impurities unspecified)) in 0.1 ml water to an area of approximately 6 cm sq of clipped back skin, twice a week for 18 months. Three groups of 50 male and 50 female controls received applications of water alone. No differences in survival was observed at 18 months. No skin tumor was found. Although various tumors developed in the mammary glands and internal organ, no treatment-related difference in incidence was found.

For more Non-Human Toxicity Excerpts (Complete) data for C.I. PIGMENT RED 53:1 (9 total), please visit the HSDB record page.

Evidence for Carcinogenicity · 1 件

Evaluation: There is inadequate evidence in humans for the carcinogenicity of D&C Red No. 9. There is limited evidence in experimental animals for the carcinogenicity of D&C Red No. 9. Overall evaluation: D&C Red No. 9 is not classifiable as to its carcinogenicity to humans (Group 3).

National Toxicology Program Studies · 1 件

A carcinogenesis bioassay of D&C Red No. 9 ... was conducted by feeding diets containing 1,000 or 3,000 ppm of the test substance (89.8% pure) to groups of 50 F344 rats of either sex for 103 wk. Similar groups of 50 B6C3F1 mice received diets containing 1,000 or 2,000 ppm of the test substance for 103 wk. Groups of 50 untreated rats and mice of either sex served as controls. ... Under the conditions of this bioassay, D&C Red No. 9 was carcinogenic in male F344 rats causing an incr incidence of sarcomas of the spleen and a dose related incr in neoplastic nodules of the liver. D&C Red No. 9 was not considered carcinogenic to female F344 rats, although the incr incidence of neoplastic nodules of the liver may have been associated with the administration of the test chemical. D&C Red No. 9 was not carcinogenic in B6C3F1 mice of either sex. Levels of Evidence of Carcinogenicity: Male Rats: Positive; Female Rats: Equivocal; Male Mice: Negative; Female Mice: Negative.

RAIS Toxicity Values · 4 件

1.5e-06

CALEPA

0.0053

CALEPA

安全データ

tsca
TSCA listed
rtecs
DB5500000
ridadr
1564
hs_code
2927.00.5000
risk_code
20/21/22
化審法
(5)-3242
safety_code
22-36/37/39
hazard_class
6.1
packing_group
III
毒劇物取締法
劇物
有毒物質データの
5160-02-1(Hazardous Substances Data)

GRADES: RESINATED & NON-RESINATED /LAKE RED C/

D&C Red No 9 is required to contain a minimum of 87% pure colour for sale as a drug and cosmetic colorant

Use Classification · 2 件

Plastics -> Polymer Type -> Polyolefin-I; PVC (soft); PVC (rigid)

Plastics -> Pigments agents

General Manufacturing Information · 2 件

Benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, barium salt (2:1): ACTIVE

PROPERTIES: GOOD RESISTANCE TO BLEEDING; REASONABLE LIGHT RESISTANCE, GOOD TRANSPARENCY; PRODUCES INKS WITH GOOD FLOW. /LAKE RED C/

応用分野

解説静電潜像の現像に用いる着色微粉体.粉体トナーと液体トナーがある.粉体トナーは粒径7~30μmの微粉体で,着色顔料,カーボンブラック,染料などと樹脂からなり,キャリヤーとの摩擦帯電により正あるいは負の電荷をもつ.液体現像トナーは1μm以下の微粒子で,カーボンブラック,など着色顔料と樹脂,電荷制御剤からなり,絶縁性液体中で電気二重層を形成して電荷をもつ.

一般的な説明Odorless yellowish-red or reddish-orange powder.

上流・下流製品情報

上流原料

ロジンアンモニア水ブチルナフタレンスルホン酸ナトリウム2-アミノナフタレン-4,8-ジスルホン酸酸化バリウム2-ナフトール5-アミノ-2-クロロトルエン-4-スルホン酸

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