Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-((2-메틸페닐)아조)-2-나프탈레놀
1-((2-메틸페닐)아조)-2-나프탈레놀 · ORANGE OT · oranzss · CI 12100 · orangess · NSC58044 · DAIDAI403 · HSDB 2949
식별자 및 물리적 특성
| CAS No. | 2646-17-5 |
|---|---|
| 분자식 | C17H14N2O |
| 평균 분자량 | 262.3 g/mol |
| 단동위원소 질량 | 262.11061307 g/mol |
| SMILES | Cc1ccccc1N=Nc1c(O)ccc2ccccc12 |
| InChIKey | BQFCCCIRTOLPEF-UHFFFAOYSA-N |
| PubChem CID | 17550 |
| ChEMBL | CHEMBL1976978 |
| ChEBI | CHEBI:82364 |
| EC No. | 220-162-8 |
| DTXSID | DTXSID6025808 |
| 현지명 | 1-((2-메틸페닐)아조)-2-나프탈레놀 |
화학 및 물리적 성질
| XLogP | 5 |
|---|---|
| 극성 표면적 | 45 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 344 |
| 물질 분류 | Dyes -> Azo DyesCarcinogens |
| Color/Form | RED NEEDLES CRYSTALLIZED FROM GLACIAL ACETIC ACID |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)INSOLUBLE IN WATERSLIGHTLY SOLUBLE IN ETHANOL, CHLOROFORM & BENZENE클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 268 °F (NTP, 1992)131 °C124-126°C |
| Physical Description | Oil orange ss appears as red needles or orange powder. Sublimes above 374 °F. (NTP, 1992)Red or orange solid[CAMEO] |
| 끓는 점 | 405.56°C (rough estimate) |
| 밀도 | 1.0823 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Amber Vial, -20°C Freezer, Under inert atmosphere |
| pKa(산도 계수) | 13.52±0.50(Predicted) |
| 색상 | 빨간색에서 진한 빨간색까지 |
| 용해도 | 26.23ug/L(상온) |
| BRN | 8330630 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 청소용품화장품음식 및 음료개인 위생 관리 |
| InChI | 1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3 |
| InChIKey | BQFCCCIRTOLPEF-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1N=Nc2c(O)ccc3ccccc23 |
| EPA | C.I. Solvent Orange 2 (2646-17-5) |
화학적 성질
red needles or powder
안전 및 규제
| GHS 분류 | WarningH351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
|---|---|
| 규제 정보 | Chemical: 2-Naphthalenol, 1-[(2-methylphenyl)azo]-Hazard Traits - CarcinogenicityRegulation (EC) No 178/2002 (amended)2-Naphthalenol, 1-(2-methylphenyl)azo-: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment |
| 화재 위험 | Flash point data for this chemical are not availablehowever it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Exposure to this compound may cause irritation. |
| 유해성 요약 | High-dose feeding studies of mice for 52 weeks: increased benign tumors and carcinomas of the intestine[HSDB] May cause irritation[CAMEO] May cause irritationTargets the small intestine[MSDSonline] |
| FDA 요건 | IN 1963, REMOVED FROM US APPROVED LIST OF FOOD, DRUG & COSMETIC COLORS. |
| 반응성 그룹 | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| Reactivity Profile | OIL ORANGE SS is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. |
| Air and Water Reactions | Azo dyes can be explosive when suspended in air at specific concentrations. Insoluble in water. |
| Hazard Classes and Categories | Carc. 2 (100%)Carcinogenicity - category 2Germ cell mutagenicity - Category 2Carcinogens |
| Shipment Methods and Regulations | PRECAUTIONS FOR "CARCINOGENS": Procurement ... of unduly large amt ... should be avoided. To avoid spilling, carcinogens should be transported in securely sealed glass bottles or ampoules, which should themselves be placed inside strong screw-cap or snap-top container that will not open when dropped & will resist attack from the carcinogen. Both bottle & the outside container should be appropriately labelled. ... National post offices, railway companies, road haulage companies & airlines have regulations governing transport of hazardous materials. These authorities should be consulted before ... material is shipped. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": When no regulations exist, the following procedure must be adopted. The carcinogen should be enclosed in a securely sealed, watertight container (primary container), which should be enclosed in a second, unbreakable, leakproof container that will withstand chem attack from the carcinogen (secondary container). The space between primary & secondary container should be filled with absorbent material, which would withstand chem attack from the carcinogen & is sufficient to absorb the entire contents of the primary container in the event of breakage or leakage. Each secondary container should then be enclosed in a strong outer box. The space between the secondary container & the outer box should be filled with an appropriate quantity of shock-absorbent material. Sender should use fastest & most secure form of transport & notify recipient of its departure. If parcel is not received when expected, carrier should be informed so that immediate effort can be made to find it. Traffic schedules should be consulted to avoid ... arrival on weekend or holiday ... /Chemical Carcinogens/ |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | 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. |
| 정리 방법 | PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/ |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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. |
| 처리 방법 | 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.PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/For more Disposal Methods (Complete) data for OIL ORANGE SS (6 total), please visit the HSDB record page. |
| Preventive Measures | PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/For more Preventive Measures (Complete) data for OIL ORANGE SS (9 total), please visit the HSDB record page. |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/ |
| 유해 작용 | IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer. |
| Medical Surveillance | PRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/ |
| Natural Pollution Sources | OIL ORANGE SS IS NOT KNOWN TO OCCUR IN NATURE. |
| Carcinogen Classification | Oil Orange SSGroup 2B: Possibly carcinogenic to humansVolume 8: (1975) Some Aromatic Azo Compounds1987 |
| Non-Human Toxicity Excerpts | GROUP OF 15 MALE & 15 FEMALE STOCK ALBINO MICE WAS FED DIET CONTAINING 1000 MG OIL ORANGE SS PER KG FOR 52 WK...(TOTAL INTAKE, 728 MG/MOUSE). ONLY 12 MALES & 10 FEMALES SURVIVED 20 OR MORE WK. OF 19 ANIMALS EXAM BETWEEN 20-89 WK, 9 MALES DEVELOPED BENIGN INTESTINAL TUMORS & 1 MALE A CARCINOMA OF INTESTINE....15 MALE & 15 FEMALE STOCK ALBINO MICE...TWICE WEEKLY SC INJECTIONS OF 0.1 ML OF 1.5% SUSPENSION OF OIL ORANGE SS IN ARACHIS OIL/52 WKTOTAL DOSE, 156 MG/MOUSE. ... THREE FEMALES DEVELOPED INJECTION SITE SPINDLE-CELL SARCOMAS, 1 FEMALE & 1 MALE CARCINOMAS OF INTESTINE & 1 FEMALE, A BENIGN TUMOR OF INTESTINE....20 FEMALE RATS, 5-6 WK OF AGE, RECEIVED OIL ORANGE SS DAILY IN DIET LEVELS OF 300, 7500 OR 15,000 MG/KG OF DIET. ...ALL RATS OF MIDDLE DOSE GROUP DIED WITHIN 20 WKALL...OF HIGH DOSE GROUP DIED WITHIN 12 WK. TWO...OF LOW DOSE GROUP DEVELOPED TUMORS, ONE...OVARIAN FIBROMA & OTHER AN OVARIAN CYSTADENOMA.PELLETS OF CHOLESTEROL CONTAINING 12.5% OIL ORANGE SS WERE IMPLANTED INTO URINARY BLADDERS OF GROUP OF 32 STOCK ALBINO MICE. EXPT WAS TERMINATED @ 40 WK. BLADDER CARCINOMAS DEVELOPED IN 12 MICE, & BENIGN TUMORS OF BLADDER IN ANOTHER 2.For more Non-Human Toxicity Excerpts (Complete) data for OIL ORANGE SS (6 total), please visit the HSDB record page. |
| Evidence for Carcinogenicity | No data are available in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2B: The agent is possibly carcinogenic to humans. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | QL5425000 |
| 관세 코드 | 2927.00.5000 |
| 위험 문구(R) | 40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36-22 |
| 기존화학 물질 | KE-08558 |
| 위험 등급 | Carc. 2 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 2646-17-5(Hazardous Substances Data) |
용도
용도
1-o-Tolueneazo-2-naphthol is a potent cytochrome P-488 inducer. Dyes and metabolites.
일반 설명
Red needles or orange powder. Sublimes above 374°F.
제조 및 합성 방법
제조 방법
O-Methylaniline diazotization, and Naphthalen-2-ol coupling.