아니시딘
O-아니시딘 · 아니시딘 · 2-메톡시벤젠아민 · 2-메톡시아닐린 · 2-아미노아니솔 · o-메톡시아닐린 · 2-METHOXYANILINE · ORTHO ANISIDINE
식별자 및 물리적 특성
| CAS No. | 90-04-0 |
|---|---|
| 분자식 | C7H9NO |
| 평균 분자량 | 123.15 g/mol |
| 단동위원소 질량 | 123.06841391 g/mol |
| SMILES | COc1ccccc1N |
| InChIKey | VMPITZXILSNTON-UHFFFAOYSA-N |
| PubChem CID | 7000 |
| ChEMBL | CHEMBL1612004 |
| ChEBI | CHEBI:82288 |
| EC No. | 201-963-1 |
| DTXSID | DTXSID5023877 |
| 현지명 | 아니시딘 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 85 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Nitrogen Compounds -> Amines, AromaticCarcinogensDye |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 1.18 |
| 냄새 | Amine-like odor |
| 밀도 | 1.0923 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0923 g/cu cm at 20 °CVolatile with steamdensity: 1.098 at 15 °CDensity (at 20 °C): 1.09 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01.092 @ 20°C1.092 g/mL at 25 °C(lit.) |
| Viscosity | Dynamic viscosity: 2.211 mPa-s at 55 °C2.028 mm²/s at 55 °C |
| Color/Form | Yellowish liquidbecomes brownish on exposure to airReddish or yellowish colored oilColorless to pink liquidRed to yellow, oily liquid [Note: A solid below 41 degrees F]. |
| 용해도 | less than 0.1 mg/mL at 66 °F (NTP, 1992)Miscible with ethanol, benzene, diethyl ether and acetoneSoluble in ethanol, ethyl ether, acetone, benzeneSoluble in dilute mineral acid, alcohol, and etherinsoluble in waterIn water, 1.3X10+4 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 1.5 (moderate)14g/L |
| 인화점 | 210 °F (NTP, 1992)118 °C118 °C, 244 °F (open cup)107 °C c.c.(oc) 244 °F |
| 끓는 점 | 437 °F at 760 mmHg (NTP, 1992)224 °C224-225 °C224 °C @760 [mm Hg]225 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitroxides/.Toxic gases and vapors (such as ... carbon monoxide) may be released when anisidine decomposes. |
| 녹는점 | 3-6 °C(lit.) |
| 증기압 | <0.1 at 25 °C (NIOSH, 1994) |
| 굴절률 | n20/D 1.574(lit.) |
| 저장 조건 | Refrigerator |
| 물리적 상태 | 분말/고체 |
| pKa(산도 계수) | 4.52(at 25℃) |
| 색상 | 회백색 |
| pH | 7.3 (1g/l, H2O, 20℃) |
| 용해도 | 13g/L(20℃) |
| Merck | 14,667 |
| BRN | 386210 |
| 헨리 상수 | 1.25 at 25 °C (approximate - calculated from water solubility and vapor pressure) |
| 유전율 | 5.2300000000000004 |
| 안정성 | 안정적인. 강산화제, 산무수물, 클로로포르메이트, 산, 일부 플라스틱, 고무와 호환되지 않습니다. 공기에 민감합니다. |
| InChI | 1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| InChIKey | VMPITZXILSNTON-UHFFFAOYSA-N |
| SMILES | COc1ccccc1N |
| LogP(분배 계수) | 1.180 |
| NIST | Benzenamine, 2-methoxy-(90-04-0) |
| EPA | o-Anisidine (90-04-0) |
화학적 성질
Anisidine exists as ortho-, meta-, and paraisomers. They have characteristic amine (fishy) odors. o-Anisidine (or o-methoxyaniline) is an aromatic amine with a methoxyl group ortho to the amino group of aniline. It is a colorless to yellowish, pink, or reddish liquid.o-Anisidine is soluble in water and mineral oils, and miscible with alcohol, benzene, acetone, and diethylether. o-Anisidine hydrochloride, a salt of o-anisidine, is a grayish crystalline solid or powder at room temperature and is soluble in water (NTP, 2011).
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H301+H311+H331 (40.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 2-methoxy-Hazard Traits - CarcinogenicityDermatotoxicityNeurotoxicityBenzenamine, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 21-06-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1695Substance: 2-Methoxyaniline, o-Anisidine2-Anisidine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzenamine, 2-methoxy-: Environment tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 화재 가능성 | Combustible. |
| 건강 유해성 | Excerpt from NIOSH Pocket Guide for o-Anisidine: |
| 유해성 요약 | o-Anisidine is used in the manufacture of dyes. Workers in the dye industry may be occupationally exposed to it. Acute (short-term) exposure to o-anisidine results in skin irritation in humans. Workers exposed to o-anisidine by inhalation for 6 months developed headaches, vertigo, and effects on the blood. Animal studies have reported effects on the blood from chronic (long-term) dermal exposure to o- anisidine. No information is available on the reproductive, developmental, or carcinogenic effects of o- anisidine in humans. Animal studies have reported tumors of the urinary bladder from oral exposure to o- anisidine. EPA has not classified o-anisidine for carcinogenicity. The International Agency for Research on Cancer (IARC) has classified o-anisidine as a Group 2B, possible human carcinogen. |
용도
개요
o-Anisidine was produced commercially in the United States from the 1920s until late 1950s. By 2009, worldwide only six industries manufactured o-anisidine, but none produced hydrochloride salt. o-Anisidine was available from 44 suppliers, including 20 US suppliers, and the hydrochloride salt was available from eight suppliers, including five US suppliers. US imports of o-anisidine and its hydrochloride salt are reported in the category ‘o-anisidines, p-anisidines, and p-phenetidine,’ and US exports are reported in the category ‘anisidines, dianisidines, phenetidines, and their salts.’ From 1989 to 2008, imports ranged from a high of over 4.6 million kg in 1996 to zero in 2007 and 2008, and exports ranged from zero to 262 000 kg. Reports filed under the US Environmental Protection Agency’s (EPA) Toxic Substances Control Act Inventory Up Rule indicated that United States production plus imports of o-anisidine totaled 500 000 lb–1 million lb in 1986, 1990, and 2006; 1 million–10 million lb in 1990 and 1998; and 10 000–500 000 lb in 2002.
용도
Similar to other aromatic amines, o-anisidine may cause methemglobinemia and cancer in humans. It is used mainly as an intermediate for the production of azo dyes and pigments. Other industrial uses of o-anisidine include synthesis of other dyes and pharmaceuticals, as a corrosion inhibitor for steel, and as an antioxidant for polymercaptan resins (IARC, 1999; HSDB, 2012). Intermediate for azo dyes and for guaiacol.
일반 설명
Clear, yellowish to reddish or brown liquid with an amine (fishy) odor.