Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-페닐-1-사이클로카본카보니트릴
1-페닐-1-사이클로카본카보니트릴 · 1-Phenylcyclopropyl Cyanide · 1-Cyano-1-phenylcyclopropane · 1-Phenylcyclopropan-carbonitrile · 1-PHENYLCYCLOPROPANECARBONITRILE · Cyclopropanecarbonitrile, 1-phenyl- · 1-Phenylcyclopropane-1-carbonitrile · 1-Phenyl-1-cyclopeopanecarbonitrile
식별자 및 물리적 특성
| CAS No. | 935-44-4 |
|---|---|
| 분자식 | C10H9N |
| 평균 분자량 | 143.18 g/mol |
| 단동위원소 질량 | 143.07349929 g/mol |
| SMILES | N#CC1(c2ccccc2)CC1 |
| InChIKey | ZHFURHRJUWYDKG-UHFFFAOYSA-N |
| PubChem CID | 70288 |
| EC No. | 213-304-5 |
| DTXSID | DTXSID80239452 |
| 현지명 | 1-페닐-1-사이클로카본카보니트릴 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 23.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 188 |
| 끓는 점 | 133-137 °C30 mm Hg(lit.) |
| 밀도 | 1 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.539(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| 비중 | 1.000 |
| 색상 | 무색투명~미황색 |
| InChI | InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey | ZHFURHRJUWYDKG-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)(C#N)CC1 |
화학적 성질
Clear colorless to slightly yellow liquid
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 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%)Acute Tox. 4 (97.6%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN3276 |
| 관세 코드 | 29269095 |
| 위험 문구(R) | 20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36 |
| 위험 등급 | 6.1 |