Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phenylsulphonyl isocyanate
Isocyanatosulfonylbenzene · Phenylsulfonyl isocyanate. · phenylsulphonyl isocyanate · BENZENESULFONYL ISOCYANATE · BENZENESULPHONYL ISOCYANATE · (Isocyanatosulfonyl)benzene · Benzenesulfonyl isocyanate,95% · Benzenesulfonyl isocyanate 95%
식별자 및 물리적 특성
| CAS No. | 2845-62-7 |
|---|---|
| 분자식 | C7H5NO3S |
| 평균 분자량 | 183.19 g/mol |
| 단동위원소 질량 | 182.99901402 g/mol |
| SMILES | O=C=NS(=O)(=O)c1ccccc1 |
| InChIKey | UJYAZVSPFMJCLW-UHFFFAOYSA-N |
| PubChem CID | 76096 |
| EC No. | 220-640-6 |
| DTXSID | DTXSID50182648 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 72 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 278 |
| SpringerMaterials Properties | Chemical shift |
| 끓는 점 | 130 °C9 mm Hg(lit.) |
| 밀도 | 1.369 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.536(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | sol chlorinated, aromatic, and ethereal solventsreacts violently with H2O, basic and protic solvents. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| BRN | 743441 |
| InChI | 1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H |
| InChIKey | UJYAZVSPFMJCLW-UHFFFAOYSA-N |
| SMILES | O=C=NS(=O)(=O)c1ccccc1 |
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
| GHS 분류 | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2922 8/PG 1 |
| 관세 코드 | 29291000 |
| 위험 문구(R) | 20/22-36/38-42 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-26-36 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1 |
| F 고인화성물질 | 10-19-21 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples.
일반 설명
Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products.