Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
수단 III 용액
수단III · 2-나프탈레놀,1-((4-(페닐아조)페닐)아조)- · 수단III용액 · 수단Ⅲ · 적색225호 · 1-((4-페닐아조)페닐아조)-2-나프톨(솔벤트적색23호 · CI26100) · CI26100),염모제로사용될때
식별자 및 물리적 특성
| CAS No. | 1071538-45-8 |
|---|---|
| 분자식 | C22H16N4O |
| 평균 분자량 | 352.4 g/mol |
| 단동위원소 질량 | 352.13241113 g/mol |
| SMILES | Oc1ccc2ccccc2c1N=Nc1ccc(N=Nc2ccccc2)cc1 |
| InChIKey | FHNINJWBTRXEBC-UHFFFAOYSA-N |
| PubChem CID | 62331 |
| ChEMBL | CHEMBL2001927 |
| ChEBI | CHEBI:82535 |
| EC No. | 201-638-4 |
| DTXSID | DTXSID3041742 |
| 현지명 | 수단 III 용액 |
화학 및 물리적 성질
| XLogP | 5.9 |
|---|---|
| 극성 표면적 | 69.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 508 |
| 물질 분류 | Dyes -> Azo Dyes |
| 화장품 | Cosmetics ingredient -> ColorantCosmetic colorantHair dyeing |
| 향료 | Fragrance Ingredient (2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-) -> IFRA transparency List |
| LogP(분배 계수) | 2.11 |
| 식품 첨가물 | Drugs, Cosmetics, Devices -> FDA Regulatory Status of Color Additives |
| Physical Description | Brown and green metallic solid[Merck Index] Red powder[MSDSonline] |
| Ionization Efficiency | Positive3.662.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| 녹는점 | 199 °C (dec.)(lit.) |
| 끓는 점 | 486.01°C (rough estimate) |
| 밀도 | 1.2266 (rough estimate) |
| 굴절률 | 1.6620 (estimate) |
| 저장 조건 | Store at +5°C to +30°C. |
| 용해도 | Insoluble in watersoluble in benzene, chloroformmoderately soluble in acetone, ether, petroleum etherslightly soluble in ethanol, xylene |
| pKa(산도 계수) | 13.45±0.50(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 적갈색 |
| Merck | 14,8884 |
| BRN | 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(분배 계수) | 5.740 (est) |
| EPA | C.I. Solvent Red 23 (85-86-9) |
화학적 성질
reddish brown powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 77.8% (175 of 225) of all reports.DangerH315 (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. |
|---|---|
| 규제 정보 | Chemical: 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-Hazard Traits - BioaccumulationEnvironmental PersistenceRegulation (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 |
| 기타 안전 정보 | IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment |
| 유해성 요약 | A skin, eye, and respiratory tract irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (21.3%)Skin Irrit. 2 (100%)Carcinogenicity - category 2 |
| Carcinogen Classification | Sudan IIIGroup 3: Not classifiable as to its carcinogenicity to humansVolume 8: (1975) Some Aromatic Azo Compounds1987 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QK4250000 |
| 독성 | cyt-ham:ovr 20 mmol/L/5H-C ENMUDM 1,27,79 |
| 관세 코드 | 32129000 |
| 위험 문구(R) | 10-20-36/38-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) |
용도
개요
Solvent 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 및 합성 방법
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.