Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-페녹시아닐린
4-페녹시아닐린 · 3-Methyl-5-sulfanilamidoisothiazole · Bidizole · Amidozole · NSC 139593 · AKOS B019893 · AKOS AUF02007 · 4-Phenoxaniline
식별자 및 물리적 특성
| CAS No. | 139-59-3 |
|---|---|
| 분자식 | C12H11NO |
| 평균 분자량 | 185.22 g/mol |
| 단동위원소 질량 | 185.08406397 g/mol |
| SMILES | Nc1ccc(Oc2ccccc2)cc1 |
| InChIKey | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| PubChem CID | 8764 |
| ChEMBL | CHEMBL249550 |
| EC No. | 205-367-2 |
| DTXSID | DTXSID8059687 |
| 현지명 | 4-페녹시아닐린 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 158 |
| 녹는점 | 82-84 °C(lit.) |
| 끓는 점 | 140 °C (2.2503 mmHg) |
| 밀도 | 1.0936 (rough estimate) |
| 굴절률 | 1.5300 (estimate) |
| 저장 조건 | RT, protect from light |
| 물리적 상태 | 결정질 플레이크 또는 분말 |
| pKa(산도 계수) | 4.75±0.10(Predicted) |
| 색상 | 갈색에서 녹색 갈색 |
| 용해도 | < 1g/L(20℃) |
| BRN | 777708 |
| InChI | InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2 |
| InChIKey | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(OC2=CC=CC=C2)C=C1 |
| NIST | Benzenamine, 4-phenoxy-(139-59-3) |
| EPA | Benzenamine, 4-phenoxy- (139-59-3) |
화학적 성질
brown to green-brown crystalline flakes or powder
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (97.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (14.6%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (12.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (89.6%)Skin Sens. 1 (97.9%)Eye Irrit. 2 (100%)STOT SE 3 (89.6%)Muta. 2 (14.6%)Aquatic Acute 1 (12.5%)Aquatic Chronic 1 (12.5%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BY7930000 |
| 독성 | skn-rbt 500 mg/24H MLD 28ZPAK -,119,72 |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 22-36/37/38-43-68-50/53 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36/37/39-61-45-24 |
| 위험 등급 | 9Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| F 고인화성물질 | 9 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |