Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
프탈라미산
프탈라미산 · 프탈아마이드산 · 2-Carbamoylbenzoic acid · PTHALAMIC ACID · PHTHALAMIC ACID · Phthalamide acid · PHTHALAMIDIC ACID · PhthalamicAcid>Phthalic monoamide
식별자 및 물리적 특성
| CAS No. | 88-97-1 |
|---|---|
| 분자식 | C8H7NO3 |
| 평균 분자량 | 165.15 g/mol |
| 단동위원소 질량 | 165.04259309 g/mol |
| SMILES | NC(=O)c1ccccc1C(=O)O |
| InChIKey | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| PubChem CID | 6957 |
| ChEBI | CHEBI:50736 |
| EC No. | 201-871-1 |
| DTXSID | DTXSID0058980 |
| 현지명 | 프탈라미산 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 80.4 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 202 |
| 녹는점 | 140-143 °C(lit.) |
| 끓는 점 | 394.2±25.0 °C(Predicted) |
| 밀도 | 1.368 |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.75±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| BRN | 1868205 |
| InChI | 1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12) |
| InChIKey | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccccc1C(O)=O |
| EPA | Benzoic acid, 2-(aminocarbonyl)- (88-97-1) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2924297099 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Phthalamic Acid is a reactant in the synthesis of phthalimide derivatives with analgesic activity.
일반 설명
Phthalamic acid can be synthesized from the reaction between ammonia and phthalic anhydride by a modified Auger′s method. Kinetic studies of the intramolecular carboxylic-group assisted hydrolysis of amide bond of phthalamic acid provided the value of pseudo-first order rate constant (kobs) as 5.1×10-5sec-1 at pH 1.3-1.8 and 35°C. It undergoes hydrolysis about 105 times faster than benzamide.