1,8-디아미노나프탈렌
1,8-다이아미노나프탈렌 · 1,8-디아미노나프탈렌 · 1,8-나프틸렌디아민 · 1, 8-다이아미노나프탈렌 · Naphthalene-1,8-diamine · 1,8-NAPHTHALENEDIAMINE · 1,8-Diaminonaphthalene,99% · 1,8-DiaminonaphthaL
식별자 및 물리적 특성
| CAS No. | 479-27-6 |
|---|---|
| 분자식 | C10H10N2 |
| 평균 분자량 | 158.2 g/mol |
| 단동위원소 질량 | 158.08439832 g/mol |
| SMILES | Nc1cccc2cccc(N)c12 |
| InChIKey | YFOOEYJGMMJJLS-UHFFFAOYSA-N |
| PubChem CID | 68067 |
| ChEMBL | CHEMBL595537 |
| EC No. | 207-529-8 |
| DTXSID | DTXSID6044432 |
| 현지명 | 1,8-디아미노나프탈렌 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 142 |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 1.78 |
| 증기압 | 0.0000293 [mmHg]0.011Pa at 25℃ |
| Physical Description | Solid[Merck Index] Light brown crystalline solid[Sigma-Aldrich MSDS] |
| 녹는점 | 60-65 °C (lit.) |
| 끓는 점 | 205 °C/12 mmHg (lit.) |
| 밀도 | 1.1265 |
| 굴절률 | 1.6829 |
| 인화점 | 205°C/12mm |
| 저장 조건 | Store below +30°C. |
| 용해도 | 메탄올 에 용해됨 |
| 물리적 상태 | 덩어리 또는 결정질 질량 |
| pKa(산도 계수) | 4.46±0.10(Predicted) |
| 색상 | 회적색~회색 또는 암갈색 |
| 용해도 | 약간 용해됨 |
| Merck | 14,6372 |
| BRN | 742841 |
| 안정성 | 공기에 민감한 |
| InChI | 1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2 |
| InChIKey | YFOOEYJGMMJJLS-UHFFFAOYSA-N |
| SMILES | Nc1cccc2cccc(N)c12 |
| LogP(분배 계수) | 1.335 |
| NIST | 1,8-Naphthalenediamine(479-27-6) |
| EPA | 1,8-Naphthalenediamine (479-27-6) |
화학적 성질
Off white powder. 1,8-Naphthalenediamine [479-27-6]. 1,8-diaminonaphthalene, Deltamin, C10H10N2, Mr 158.2, turns brown in air even in the absence of light. Its solutions give a brown precipitate on addition of iron(III) chloride. Treatment with boiling aqueous sodium bisulfite followed by addition of alkali gives 8-amino-1-hydroxynaphthalene. Sulfonation takes place in the 4- position. Coupling with azo compounds also occurs in the 4-position, but in almost neutral solution 4,5-bis coupling can occur. The resulting bisazo compound is reduced with SnCl2– HCl to give 1,4,5,8-tetraaminonaphthalene.
안전 및 규제
| GHS 분류 | WarningH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,8-NaphthalenediamineStatus: Active Update: 02-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/212851,8-Naphthalenediamine: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May cause skin sensitizationHarmful by ingestion[ECHA REACH Registrations] May cause irritation and skin sensitizationSuspected carcinogen[Sigma-Aldrich MSDS] See p-Phenylenediamine and o-Phenylenediamine. See 1,5-Naphthalenediamine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| 유해 작용 | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2811 |
| 독성 | LD50 orally in Rabbit: 800 mg/kg |
| 관세 코드 | 29215940 |
| 위험 문구(R) | 22-40-43-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37-36/37/39-26-24-36 |
| 기존화학 물질 | 98-3-1030 |
| F 고인화성물질 | 8 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Sens. 1 |
용도
용도
1,8-Diaminonaphthalene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. 1,8-Naphthalenediamine has minor use as an antioxidant for lubricating oils and as an analytical reagent for the detection of selenium and nitrites.