Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N,N-디메틸카바모일클로라이드
다이메틸카바모일클로라이드 · N,N-디메틸카바모일클로라이드 · 디메틸카르바모일클로라이드 · 다이메틸카바모일 클로라이드 · Dimethylcarbamic chloride · dmcc · N,N-DIMETHYLCARBAMOYL CHLORIDE · DIMETHYLCARBAMYL CHLORIDE
식별자 및 물리적 특성
| CAS No. | 79-44-7 |
|---|---|
| 분자식 | C3H6ClNO |
| 평균 분자량 | 107.54 g/mol |
| 단동위원소 질량 | 107.01379149 g/mol |
| SMILES | CN(C)C(=O)Cl |
| InChIKey | YIIMEMSDCNDGTB-UHFFFAOYSA-N |
| PubChem CID | 6598 |
| ChEMBL | CHEMBL1527556 |
| ChEBI | CHEBI:82280 |
| EC No. | 201-208-6 |
| DTXSID | DTXSID1020512 |
| 현지명 | N,N-디메틸카바모일클로라이드 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 20.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 61.8 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Toxic Gases & Vapors -> Acid HalidesCarcinogens |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 밀도 | 1.168 at 68 °F (USCG, 1999) - Denser than waterwill sink1.168 g/cu cm @ 25 °C1.171.168 @25 °C1.168 g/mL at 25 °C(lit.) |
| Color/Form | Clear, colorless liquid. |
| 용해도 | Decomposes (NTP, 1992)Reacts클로로포름(가용성), DMSO(약간 용해성) |
| 인화점 | 155 °F (NTP, 1992)Flash point: not available |
| 끓는 점 | 329 to 333 °F at 760 mmHg (NTP, 1992)167 °C329 °F167 °C @760 [mm Hg]167-168 °C775 mm Hg(lit.) |
| Decomposition | WHEN HEATED TO DECOMPOSITION IT EMITS VERY TOXIC FUMES OF /HYDROGEN CHLORIDE AND NITROGEN OXIDES/.Decomposes in water. |
| 녹는점 | -27 °F (NTP, 1992)-33 °C−33 °C(lit.) |
| 증기 밀도 | 3.73 (NTP, 1992) - Heavier than airwill sink (Relative to Air)3.73 (Air = 1) |
| 증기압 | 1.95 [mmHg]1.95 mm Hg @ 25 °C1.95 [mm Hg] @25 °C |
| 굴절률 | Index of refraction: 1.4529 @ 20 °C/Dn20/D 1.453 |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | -1.85±0.70(Predicted) |
| 색상 | 무색~황색 |
| 비중 | 1.172 |
| 용해도 | 물에서 분해되다 |
| BRN | 878197 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3 |
| InChIKey | YIIMEMSDCNDGTB-UHFFFAOYSA-N |
| SMILES | CN(C)C(Cl)=O |
| NIST | Carbamic chloride, dimethyl-(79-44-7) |
| EPA | Dimethylcarbamoyl chloride (79-44-7) |
화학적 성질
Dimethylcarbamoyl chloride is a colorless to light yellow or light brown, irritating oily liquid. The molecule contains two polar functional groups: a formyl group and a chlorine atom. These functional groups impart a certain polarity to the molecule, giving it strong polar solubility. It is soluble in organic solvents such as ether, carbon disulfide, and benzene.
안전 및 규제
| GHS 분류 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Carbamic chloride, dimethyl-Hazard Traits - CarcinogenicityDermatotoxicityHepatotoxicity and Digestive System ToxicityOcular ToxicityRespiratory ToxicityStatus: Active Update: 01-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8335Dimethylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Carbamic chloride, dimethyl-: Human health tier II assessment |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Special Hazards of Combustion Products: Toxic fumes of NO x and HCl (USCG, 1999)· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | Material is extremely destructive to the mucous membranes, upper respiratory tract, eyes, and skin. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 유해성 요약 | Dimethylcarbamoyl chloride is used as an intermediate in the production of pharmaceuticals, pesticides, and dyes. Acute (short-term) inhalation exposure to dimethylcarbamoyl chloride has been observed to result in damaged mucous membranes of the nose, throat, and lungs, and cause difficulty in breathing in rats. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic health effects of dimethylcarbamoyl chloride in humans. Nasal tract carcinomas have been observed in rats and male hamsters following inhalation exposure. EPA has not classified dimethylcarbamoyl chloride for potential carcinogenicity. |
용도
용도
Dimethylcarbamoyl chloride has been used primarily as a chemical intermediate in the production of dyes, pharmaceuticals, pesticides, and rocket fuel (IARC 1999, HSDB 2009).
일반 설명
Dimethylcarbamoyl chloride appears as a colorless to yellow liquid with a pungent odor. Burns to skin, eyes and mucous membranes. A lachrymator. Used to make dyes and pharmaceuticals.