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D&C 적색 NO. 9

D&C Red 9

HCID 21238
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
5160-02-1
표준 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
분자식
Ba(C17H12ClN2O4S)2
평균 분자량
888.9 g/mol
단동위원소 질량
887.946509

개요

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

이름 및 식별자

우선 이름
D&C Red 9
IUPAC
barium(2+);bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate)
현지명
D&C 적색 NO. 9
영어명
Pigment Red 53:1
분자식
C34H24BaCl2N4O8S2
분자량
888.94

이름 및 동의어

Brilliant RedHamilton RedPotomac RedRed ScarletScarlet Toner YSegnale Red LCGSegnale Red LCLBronze Red ROVulcan Red LCRed Toner ZIrgalite Red CBTIrgalite Red MBC
이름 더 보기
D&C적색NO.9바륨비스[2-클로로-5-(하이드록시-1-나프탈일)아조톨루엔-4-설포네이트안료적색53:1호안료적색53:1호(레이크적색C바륨)D&C적색NO.9적색204호레이크적색CC.I. 염료 레드 53:1D and C 레드 No. 9바륨 [5-클로로-4-메틸-2-(2-하이드록시나프틸아조)벤젠설포네이트]바륨 비스[2-클로로-5-(하이드록시-1-나프탈일)아조톨루엔-4-설포네이트바륨 비스[2-클로로-5-[(2-하이드록시-1-나프틸)아조]톨루엔-4-설포네이트]벤젠설폰산, 5-클로로-2-[(2-하이드록시-1-나프탈렌일)아조]-4-메틸-, 바륨 염벤젠설폰산, 5-클로로-2-[(2-하이드록시-1-나프탈렌일)아조]-4-메틸-, 바륨 염 (2:1)벤젠설폰산, 5-클로로-2-[(하이드록시-1- 나프탈렌일)아조]-4-메틸, 바륨 염 (2:1)벤젠설폰산, 5-클로로-2-[2-(2-하이드록시-1-나프탈렌일)디아제닐]-4-메틸-, 바륨 염 (2:1)TonerRed 53:1C.I. 15585:1redzhb

물성

구조 계산 물성

극성 표면적
221 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
4
무거운 원자 수
51
형식 전하
0
복잡도
581

실험 및 물리화학적 성질

Chemical ClassesDyes -> Azo Dyes
Polymers · 2건

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

Plastics -> Pigments agents

Density · 3건

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

1.66 g/cu cm

1.66 @25 °C

Color/FormRed powder
Solubility · 2건

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

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

Melting Point · 2건

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

343-345 °C (decomposes)

Physical Description · 2건

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

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

물리화학적 성질

녹는점
343 · 343-345°C
밀도
1.66 g/cm3 · 1.66 g/cm3
용해도
2 · DMSO : Ethylene Glycol = 2:1 (Slightly)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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 · 1건

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]

화학 및 산업

용도 및 제조

Uses · 6건

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 · 1건

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 · 3건

(1977) 1.67X10+6 GRAMS

(1979) 1.30X10+7 GRAMS

119,553 lbs (principal US custom districts)

U.S. Production · 3건

(1977) 5.18X10+7 GRAMS

(1979) 4.24X10+7 GRAMS

1,500,000 kg (1992)

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

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 · 3건

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.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
AKA204
1860red
d&cred9
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

데이터베이스 식별자

CAS
5160-02-1
PubChem CID
21238
DTXSID
DTXSID3021229
ChEBI
CHEBI:82435
UNII
1FO1ZO92Y1
EC Number
225-935-3
물리적 상태
powder to crystal
색상
주황색에서 빨간색으로
수용성
18 °C에서 · 18°C에서 <0.01g/100mL
안정성
감광성
화장품 원료 기능
색소
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]
EPA
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%)

안전 및 보호

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 · 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.

Disposal Methods · 1건

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) · 3건

3.0 [mg/m3]

130 [mg/m3]

790 [mg/m3]

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 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)

독성 정보

Ongoing Test Status · 1건

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 · 6건

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 · 5건

...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 · 1건

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 · 1건

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 · 4건

1.5e-06

CALEPA

0.0053

CALEPA

안전 데이터

tsca
TSCA listed
rtecs
DB5500000
ridadr
1564
HS 번호
2927.00.5000
risk_code
20/21/22
safety_code
22-36/37/39
포장분류
III
위험 등급
6.1
기존화학 물질
KE-07935
유해 물질 데이터
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 · 2건

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

Plastics -> Pigments agents

General Manufacturing Information · 2건

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/

응용 분야

일반 설명Odorless yellowish-red or reddish-orange powder.

상·하류 제품 정보

상류 원료

로진암모니아수부틸나프탈렌술폰산 나트륨2-Amino-4,8-naphthalenedisulfonic acid바륨 옥사이드2-나프톨2-아미노-5-클로로-4-메틸벤젠설폰산

공급사68 곳

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