Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Bromophenyl isocyanate
1-Bromo-4-isocyanatobenzene · P-BROMOPHENYL ISOCYANATE · NSC 8037 · p-Bromocarbanil · 4-bromophenylcarbimide · p-Bromophenylcarbonimide · 4-BROMOPHENYL ISOCYANATE · BroMo-4-isocyanatobenzene
식별자 및 물리적 특성
| CAS No. | 2493-02-9 |
|---|---|
| 분자식 | C7H4BrNO |
| 평균 분자량 | 198.02 g/mol |
| 단동위원소 질량 | 196.94763 g/mol |
| SMILES | O=C=Nc1ccc(Br)cc1 |
| InChIKey | CZQIJQFTRGDODI-UHFFFAOYSA-N |
| PubChem CID | 75609 |
| EC No. | 219-662-9 |
| DTXSID | DTXSID1062465 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 29.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 146 |
| 녹는점 | 42-44 °C(lit.) |
| 끓는 점 | 158 °C14 mm Hg(lit.) |
| 밀도 | 1.6077 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 인화점 | 229 °F |
| 저장 조건 | Refrigerator (+4°C) |
| 용해도 | 디에틸 에테르: 매우 약간 용해됨 |
| 물리적 상태 | 결정질 고체 |
| 색상 | 흰색~밝은 베이지 |
| 용해도 | 물에 거의 녹지 않습니다(25°C에서 0.40g/L). |
| Merck | 14,1430 |
| BRN | 508203 |
| InChI | 1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | CZQIJQFTRGDODI-UHFFFAOYSA-N |
| SMILES | Brc1ccc(cc1)N=C=O |
| EPA | p-Bromophenyl isocyanate (2493-02-9) |
화학적 성질
WHITE TO LIGHT BEIGE CRYSTALLINE SOLID
안전 및 규제
| GHS 분류 | DangerH312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (14.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+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 47 reports by companies from 6 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 (89.4%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)Resp. Sens. 1 (14.9%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CY9035500 |
| 운송 번호(UN) | 2206 |
| 관세 코드 | 29291090 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 7-26-27-36/37/39 |
| 포장분류 | III |
용도
용도
4-Bromophenyl isocyanate is used in the synthesis of mixed bisamide derivative and monoamide product.