기본 정보
- 표준 SMILES
Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
FHNINJWBTRXEBC-UHFFFAOYSA-N- 분자식
- C22H16N4O
- 평균 분자량
- 352.4 g/mol
- 단동위원소 질량
- 352.13241113
개요
Sudan III is a bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. It has a role as a carcinogenic agent, a fluorochrome and a histological dye. It is a member of azobenzenes, a member of naphthols and a bis(azo) compound. It is functionally related to a 2-naphthol.
이름 및 식별자
- 우선 이름
- 1-(p-Phenylazophenylazo)-2-naphthol (Sudan III)
- IUPAC
- 1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
- 현지명
- 수단 III 용액
- 영어명
- Solvent Red 23
- 분자식
- C22H16N4O
- 분자량
- 352.39
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1071538-45-8、85-86-9- PubChem CID
- 62331
- DTXSID
DTXSID3041742- ChEMBL
CHEMBL2001927- ChEBI
CHEBI:82535- UNII
- ND733RX3JN
- EC Number
- 201-638-4、982-497-2
- Nikkaji
- J3.890C
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 69.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 508
실험 및 물리화학적 성질
Cosmetics
Cosmetics ingredient -> Colorant
Cosmetic colorant; Hair dyeing
Ionization Efficiency
Positive
3.66
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
물리화학적 성질
- 녹는점
- 199 °C · 199 °C (dec.)(lit.)
- 끓는 점
- 486.01 °C · 486.01°C (rough estimate)
- 밀도
- 1.2266 · 1.2266 (rough estimate)
- 굴절률
- 1.662 · 1.6620 (estimate)
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- Insoluble in water; soluble in benzene, chloroform; moderately soluble in acetone, ether, petroleum ether; slightly soluble in ethanol, xylene
- 산도 계수 (pKa)
- 13.45 · 13.45±0.50(Predicted)
- 물리적 상태
- 가루
- 색상
- 적갈색
- Merck
- 14 · 14,8884
- BRN
- 2016384 · 2016384
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 색소머리 염색
- InChI
- 1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23+,26-25+
- InChIKey
- FHNINJWBTRXEBC-HXEHWPEMSA-N
- SMILES
- Oc1ccc2ccccc2c1\N=N\c3ccc(cc3)\N=N\c4ccccc4
- LogP
- 5.74 · 5.740 (est)
- EPA
- 23 · C.I. Solvent Red 23 (85-86-9)
화학적 성질
reddish brown powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 77.8% (175 of 225) of all reports.
Danger
H315 (21.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 225 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Regulation (EC) No 178/2002 (amended)
2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (21.3%)
Skin Irrit. 2 (100%)
Carcinogenicity - category 2
독성 정보
Carcinogen Classification
Sudan III
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 8: (1975) Some Aromatic Azo Compounds
1987
1987
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QK4250000
- 독성
- cyt-ham:ovr 20 mmol/L/5H-C ENMUDM 1,27,79
- HS 번호
- 32129000
- risk_code
- 10-20-36/38-36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- 기존화학 물질
- KE-08590
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as a biological stain; [Merck Index]
Substance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.
Household Products
Cosmetics product ingredient: 2-Naphthalenol, 1-[4-(phenylazo)phenyl]azo- (Red 17; Solvent Red 23; CI 26100; Aka225)
Information on 3 consumer products that contain D&C Red #17 in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Cosmetic colorant; Hair dyeing
응용 분야
개요Solvent Red 23 is an oil-soluble red azo dye used in cosmetic products in Japan. Cases were reported in hairdressers, who also reacted to PPD and to paminoazobenzene. One case of contact dermatitis was reported in the metal industry.
제조 방법
4-(Phenyldiazenyl)benzenamine diazotization, and Naphthalen-2-ol coupling. Note: some goods by 4-(Phenyldiazenyl)benzenamine and 2-Methyl-4-(o-tolyldiazenyl)benzenamine mixture as diazo components and have to.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: A bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound l pids in paraffin sections.
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