Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,3-디아미노프로판
1,3-디아미노프로판 · 1,3-프로판디아민 · 1,3-프로필렌다이아민 · Propane-1,3-diamine · 1,3-PROPANEDIAMINE · TRIMETHYLENEDIAMINE · H2N(CH2)3NH2 · 13DAP
식별자 및 물리적 특성
| CAS No. | 109-76-2 |
|---|---|
| 분자식 | C3H10N2 |
| 평균 분자량 | 74.13 g/mol |
| 단동위원소 질량 | 74.08439832 g/mol |
| SMILES | NCCCN |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| PubChem CID | 428 |
| ChEMBL | CHEMBL174324 |
| ChEBI | CHEBI:15725 |
| EC No. | 203-702-7 |
| DTXSID | DTXSID1021906 |
| 현지명 | 1,3-디아미노프로판 |
화학 및 물리적 성질
| XLogP | -1.4 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 12.4 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP(분배 계수) | -1.43 |
| 밀도 | 0.881 at 68 °F (NTP, 1992) - Less dense than waterwill float0.8881 @25 °C0.888 g/mL at 25 °C(lit.) |
| 용해도 | Soluble (NTP, 1992)DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 인화점 | 75 °F (NTP, 1992)120 °F |
| 끓는 점 | 275.9 °F at 738 mmHg (NTP, 1992)139.80 °C. @ 760.00 mm Hg140 °C(lit.) |
| 녹는점 | 10 °F (NTP, 1992)-12 °C |
| 증기 밀도 | 2.5 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 증기압 | 11.5 [mmHg]<8 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)Colorless to yellow liquid with an amine odor[CHEMINFO (MSDS)] Colorless liquid with an odor of amines[CAMEO] |
| 굴절률 | n20/D 1.458(lit.) |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 10.94(at 10℃) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| pH | >12 (100g/l, H2O, 20℃) |
| 폭발한계 | 2.8-15.2%(V) |
| 용해도 | 녹는 |
| BRN | 605277 |
| 유전율 | 9.6(Ambient) |
| 안정성 | 안정적인. 흡습성. 가연성 - 공기와 쉽게 폭발성 혼합물을 형성합니다. 산 무수물, 산 염화물, 산, 강산화제와 호환되지 않습니다. |
| InChI | 1S/C3H10N2/c4-2-1-3-5/h1-5H2 |
| InChIKey | XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| SMILES | NCCCN |
| LogP(분배 계수) | -1.05 at 25℃ |
| NIST | 1,3-Propanediamine(109-76-2) |
| EPA | 1,3-Diaminopropane (109-76-2) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | DangerH226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1,3-Propanediamine1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/119781,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 운송 라벨(DOT) | Corrosive Flammable Liquid |
| 화재 위험 | This compound is a flammable liquid. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992) |
| 유해성 요약 | Corrosive to skin[Quick CPC] Highly irritating or corrosive to skin and eyes[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,3-DIAMINOPROPANE is heat sensitive. This compound may react with oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.6%)Flammable liquids - Category 2 |
| 소화 | This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Protective Action Criteria (PAC) | 0.93 [mg/m3]10 [mg/m3]62 [mg/m3] |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TX6825000 |
| 운송 번호(UN) | UN 2922 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg |
| 관세 코드 | 29212900 |
| 위험 문구(R) | 10-22-24-35 |
| 위험 표시 | T,C |
| 안전 문구(S) | 26-36/37/39-45-25-16 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B |
| 기존화학 물질 | KE-29259 |
| F 고인화성물질 | 34 |
| 자연 발화 온도 | 662 °F |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
일반 설명
Water-white mobile liquid with an odor of amine.
제조 및 합성 방법
생산 방법
1,3-Diaminopropane is produced in a twostage continuous process, under a pressure of 10 – 20 MPa. In a first reactor, acrylonitrile reacts with excess ammonia at 70 – 100 ℃ to give 2-aminopropionitrile and bis(cyanoethyl) amine. The mixture of aminonitriles is then hydrogenated in a downstream reactor over a fixed-bed catalyst (cobalt or nickel) at 60 – 120 ℃ to give 1,3-diaminopropane and bis (aminopropyl)amine. The yield of 1,3- diaminopropane can be increased by adding a polar solvent and water or by using a large excess of ammonia.