Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Benzene, 1,4-dichloro-2-isocyanato-
2,5-Dichlorophenyl · 2,5-DICHLOROPHENYL CARBIMIDE · 2,5-DICHLOROPHENYL ISOCYANATE · 1,4-dichloro-2-phenylisocyanate · 1,4-Dichloro-2-isocyanatobenzene · 1,4-dichloro-2-isocyanato-benzen · 2,5-Dichlorophenylisocyanate-97% · 2,5-Dichlorophenyl Isocyanate >2,5-Dichlorophenyl isocyanate 97%
식별자 및 물리적 특성
| CAS No. | 5392-82-5 |
|---|---|
| 분자식 | C7H3Cl2NO |
| 평균 분자량 | 188.01 g/mol |
| 단동위원소 질량 | 186.9591691 g/mol |
| SMILES | O=C=Nc1cc(Cl)ccc1Cl |
| InChIKey | PEQMJVGRHNZPAM-UHFFFAOYSA-N |
| PubChem CID | 79360 |
| EC No. | 226-396-7 |
| DTXSID | DTXSID4063826 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 29.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 179 |
| 녹는점 | 28-30°C |
| 끓는 점 | 120-122°C 20mm |
| 밀도 | 1.3256 (rough estimate) |
| 굴절률 | 1.5500 (estimate) |
| 인화점 | >110°C |
| 저장 조건 | 0-10°C |
| 물리적 상태 | 액체 또는 저융점 고체 |
| 색상 | 투명~흐림 무색~황색 또는 흰색~황색 |
| BRN | 388960 |
| EPA | Benzene, 1,4-dichloro-2-isocyanato- (5392-82-5) |
화학적 성질
The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus
안전 및 규제
| GHS 분류 | DangerH301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (13.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (86.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H334 (97.8%): 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, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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. 3 (97.8%)Acute Tox. 3 (86.7%)Skin Irrit. 2 (100%)Skin Sens. 1 (86.7%)Eye Irrit. 2 (100%)Acute Tox. 2 (13.3%)Resp. Sens. 1 (97.8%)STOT SE 3 (100%) |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2250 |
| 관세 코드 | 2929100090 |
| 위험 문구(R) | 23/25-36/37/38-42-42/43-23/24/25 |
| 위험 표시 | T |
| 안전 문구(S) | 23-26-36/37/39-45-22 |
| 포장분류 | II |
| 위험 등급 | 6.1 |