무수시트라콘산
무수시트라콘산 · 시트라콘무수물 · 시트라콘무수물(CITRACONICANHYDRIDE) · CTA · 2,5-Furandione, 3-Methyl- · 3-Methylmaleic anhydride · 3-methyl-furan-2,5-dione · METHYLMALEIC ANHYDRIDE
식별자 및 물리적 특성
| CAS No. | 616-02-4 |
|---|---|
| 분자식 | C5H4O3 |
| 평균 분자량 | 112.08 g/mol |
| 단동위원소 질량 | 112.01604399 g/mol |
| SMILES | CC1=CC(=O)OC1=O |
| InChIKey | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| PubChem CID | 12012 |
| ChEMBL | CHEMBL398893 |
| EC No. | 210-459-0 |
| DTXSID | DTXSID8060660 |
| 현지명 | 무수시트라콘산 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 178 |
| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 1.2469 @ 16 °C/4 °C1.247 g/mL at 25 °C (lit.) |
| Color/Form | COLORLESS LIQUID |
| 용해도 | SOL IN ALCOHOL, ETHER, ACETONE클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 213-214 °C @ 760 MM HG213-214 °C (lit.) |
| 녹는점 | 7-8 °C6-10 °C (lit.) |
| 증기압 | 1 MM HG @ 47.1 °C1.3 hPa ( 47 °C) |
| 굴절률 | Index of refraction: 1.4716 at 21 °C/Dn20/D 1.471(lit.) |
| Physical Description | Colorless liquidmp = 7-8 deg C[Hawley] Clear almost colorless liquidmp = 7 deg C[MSDSonline] |
| Other Experimental Properties | DECOMP IN WATER |
| 증기 밀도 | 4 (vs air) |
| 인화점 | 215 °F |
| 저장 조건 | Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 투명하고 무색에서 아주 약간 노란색을 띤다. |
| 용해도 | 물에서 분해되다 |
| BRN | 1835 |
| 유전율 | 40.3(20℃) |
| InChI | 1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3 |
| InChIKey | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| SMILES | CC1=CC(=O)OC1=O |
| LogP(분배 계수) | -0.232 (est) |
| NIST | 2,5-Furandione, 3-methyl-(616-02-4) |
| EPA | 2,5-Furandione, 3-methyl- (616-02-4) |
화학적 성질
clear colorless to very slightly yellow liquid
안전 및 규제
| GHS 분류 | DangerH311 (23.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 24-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/16743 |
| 유해성 요약 | An irritant[MSDSonline] See Maleic anhydride. See ACID ANHYDRIDES. |
| Hazard Classes and Categories | Acute Tox. 3 (23.9%) |
| Non-Human Toxicity Excerpts | ... CITRACONIC ACID ANHYDRIDE TESTED FULL STRENGTH BY DROP APPLICATION TO RABBITS EYES CAUSED SEVERE INJURY LIKE THAT CAUSED BY ACETIC ACID.VARIOUS CHEMICAL GROUPS WERE EVALUATED FOR THEIR SKIN SENSITIZATION POTENTIAL IN THE GUINEA PIG. CITRACONIC ANHYDRIDE SENSITIZED 3 OF 10 GUINEA PIGS. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GE6825000 |
| 운송 번호(UN) | UN 2810 6.1/PG 3 |
| 관세 코드 | 29171990 |
| 위험 문구(R) | 23/24/25-36/37/38-42/43-34-24 |
| 위험 표시 | T |
| 안전 문구(S) | 26-36/37/39-45-28A-23-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
| F 고인화성물질 | 10-21 |
용도
용도
Citraconic anhydride is used as a monomer for specialty unsaturated polyester resins. It is used to prepare bicyclic pyrrolidines, maleimides and co- and terpolymers. It is also used for the protection of N-terminal amino acids. Further, it is involved in the preparation of clothing ping acid and its amide. In addition to this, it is selectively used for the isolation of histidyl peptides.
일반 설명
Citraconic anhydride is a reversible blocking agent for the lysine side chain. A major advantage of the citraconic anhydride reaction is that the blocking group can be readily removed without causing protein denaturation[1].