Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2-사이클로헥산디아민
1,2-사이클로헥산디아민 · (1R,2R)-CYCLOHEXANE-1,2-DIAMINE · DACH · Diaminocyclohexane · 1,2-CYCLOHEXANEDIAMINE · (R,R)-1,2-DIAMINOCYCLOHEXANE · DCH-99 · R-DACH
식별자 및 물리적 특성
| CAS No. | 694-83-7 |
|---|---|
| 분자식 | C6H14N2 |
| 평균 분자량 | 114.19 g/mol |
| 단동위원소 질량 | 114.11569845 g/mol |
| SMILES | NC1CCCCC1N |
| InChIKey | SSJXIUAHEKJCMH-UHFFFAOYSA-N |
| PubChem CID | 4610 |
| ChEMBL | CHEMBL1356279 |
| ChEBI | CHEBI:93778 |
| EC No. | 211-776-7 |
| DTXSID | DTXSID0027301 |
| 현지명 | 1,2-사이클로헥산디아민 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 62.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 의약품 | Pharmaceuticals |
| 밀도 | 0.952 @ 20°C0.931 g/mL at 25 °C(lit.) |
| 인화점 | Flash point > 93 °C169 °F |
| 증기압 | 0.4 [mmHg]0.4 mm Hg ( 20 °C) |
| Physical Description | 1,2-diaminocyclohexane appears as a clear to light yellow liquid. Corrosive to the eyes, skin, mouth, throat and stomach. Vapors may irritate eyes.CBIDark liquid with an amine odor[CAMEO] |
| 녹는점 | 41-45 °C |
| 끓는 점 | 92-93 °C18 mm Hg(lit.) |
| 굴절률 | n20/D 1.49(lit.) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 10.76±0.70(Predicted) |
| 색상 | 투명한 |
| pH | 11.3 (5g/l, H2O, 20℃)neutral |
| 용해도 | 혼용 가능 |
| BRN | 506142 |
| LogP(분배 계수) | 0 at 20℃ |
| NIST | 1,2-Cyclohexanediamine(694-83-7) |
| EPA | 1,2-Cyclohexanediamine (694-83-7) |
화학적 성질
clear slightly yellow to yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.2% (6 of 513) of reports.DangerH302+H312+H332 (16.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 513 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,2-Cyclohexanediamine1,2-Cyclohexanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Cyclohexanediamine 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: 12-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/149031,2-Cyclohexanediamine: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 유해성 요약 | A corrosive substance[CAMEO] Effects during recovery period from a 4-hour, lethal-concentration study of rats include skin lesions, discharge from the nose, and labored breathingLesions of the nasal mucosa observed in 2-week inhalation study with ratsNo other gross or histopathological changes observedConsidered a severe skin and moderate eye irritant based on studies with rabbitsNot sensitizing to skin of guinea pigsDermal LD50 (test substance 69.5% 1,6-Hexanediamine and 30.5% 1,2-Diaminocyclohexane) = 7500 mg/kg in albino rabbits and produced severe irritation with necrosis[EPA HPVIS] Observations in 28-day feeding with rats at highest tested dose (500 mg/kg) include pale discoloration of liver and increased liver enzymesDecrease in litter size and increased postnatal loss at highest doseCaused skin sensitization in guinea pigs (20/20 at 24 hours and 13/20 at 48 hours) [ToxPlanet: TSCATS] Causes burnsPotential skin sensitizerMay cause acute pneumonitis after inhalation[Alfa Aesar MSDS] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 1,2-DIAMINOCYCLOHEXANE is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Partially soluble in water and less dense than water. |
| Hazard Classes and Categories | Acute Tox. 4 (43.1%) |
| 소화 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 응급 처치 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Protective Action Criteria (PAC) | 2.1 [mg/m3]23 [mg/m3]140 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Non-Human Toxicity Excerpts | WITHOUT EXTERNAL ACTIVATION, CIS- AND TRANS-DICHLORODIAMMINEPLATINUM(II) (DDP) AND THE CIS-, TRANS (-)-, AND TRANS (+) FORMS OF DICHLORO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (DDCP) AND CIS-, TRANS (-), TRANS (+)-SULFATO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (SHP) SHOWED A 400-FOLD RANGE OF MUTAGENICITY FOR SALMONELLA TYPHIMURIUM TA100 AND TA98THEY WERE 2-10 TIMES MORE MUTAGENIC FOR STRAIN TA100 THAN FOR STRAIN TA98. FOR THE DIAMINOCYCLOHEXANE COMPLEXES, MUTAGENIC ACTIVITY WAS STRONGLY DEPENDENT ON STEREOISOMER OF THE DIAMINOCYCLOHEXANE IN THE COMPLEX. WITH STRAIN TA100, THE THE TRANS(+) FORMS OF DDCP & SHP PRODUCED 220 AND 66 REVERTANTS/NMOL, RESPECTIVELY, WHILE THE CIS AND TRANS(-) ISOMERS INDUCED ONLY 10 AND 5% AS MANY REVERTANTS AS THE TRANS(+) FORMS. |
| Toxicity Data | LCLo (rat) = 3,200 mg/m3/4h |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GU8749500 |
| 운송 번호(UN) | UN 3259 8/PG 2 |
| 관세 코드 | 29213099 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-09164 |
| F 고인화성물질 | 34 |
| 유해 물질 데이터 | 694-83-7(Hazardous Substances Data) |
용도
용도
1,2-Diaminocyclohexane was used in the synthesis of chiral ruthenium(IV)-oxo complexes & bicyclic pyrazine derivatives.
일반 설명
1,2-Diaminocyclohexane undergoes non-templated reaction with homochiral as well as the racemic form of trans-1,2-diaminocyclohexane with terephthaldehyde to yield (3+3)-cyclocondensed molecular triangles. It acts as ligand and forms organotin complexes, having potential applications as metal-based antitumour drugs.