Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-벤즈이미다졸프로피온산
2-벤즈이미다졸프로피온산 · procodazole · 3-(1H- · Propazol · propazole · procodazol · AKOS AUF2065 · Procodazole [INN]
식별자 및 물리적 특성
| CAS No. | 23249-97-0 |
|---|---|
| 분자식 | C10H10N2O2 |
| 평균 분자량 | 190.2 g/mol |
| 단동위원소 질량 | 190.07422757 g/mol |
| SMILES | O=C(O)CCc1nc2ccccc2[nH]1 |
| InChIKey | XYWJNTOURDMTPI-UHFFFAOYSA-N |
| PubChem CID | 65708 |
| ChEMBL | CHEMBL596009 |
| ChEBI | CHEBI:134840 |
| EC No. | 628-218-7 |
| DTXSID | DTXSID5045093 |
| 현지명 | 2-벤즈이미다졸프로피온산 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 66 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 220 |
| 녹는점 | 229-231 °C (dec.)(lit.) |
| 끓는 점 | 497.9±28.0 °C(Predicted) |
| 밀도 | 1.367±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at -20°C |
| 용해도 | DMSO : ≥ 30 mg/mL (157.73 mM) |
| 물리적 상태 | Solid |
| pKa(산도 계수) | 3.98±0.10(Predicted) |
| 색상 | White to off-white |
| Merck | 13,7851 |
| InChI | InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| InChIKey | XYWJNTOURDMTPI-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)NC2=CC=CC=C2N=1 |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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 | Acute Tox. 4 (100%)Skin Irrit. 2 (97.5%)Eye Irrit. 2 (97.5%)STOT SE 3 (97.5%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UE7480000 |
| 관세 코드 | 29332990 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 등급 | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Benzimidazolepropionic acid is suitable reagent for use in the method of generation of monoclonal antibodies against very small drug hapten, 5-benzimidazolecarboxylic acid by in vivo immunisation method and an in vitro immunisation procedure. It may be used in the synthesis of cytidine derivatives.
일반 설명
2-Benzimidazolepropionic acid is a 2-(4-thiazolyl)benzimidazole analog. 2-Benzimidazolepropionic acid is a 2-substituted benzimidazole ligand and its dissociation constant has been evaluated. 2-Benzimidazolepropionic acid is reported to possess active antimarial activity.