Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
4-TERT-BUTYLBE · AKOS BBS-00004509 · BUTTPARK 44\03-79 · Butylbenzhydrazide · 4-tert-Butylbenzhydr · LABOTEST-BB LT00454438 · 4-t-Butylbenzhydrazide · 4-TERT-BUTYLBENZHYRAZIDE
식별자 및 물리적 특성
| CAS No. | 43100-38-5 |
|---|---|
| 분자식 | C11H16N2O |
| 평균 분자량 | 192.26 g/mol |
| 단동위원소 질량 | 192.12626313 g/mol |
| SMILES | CC(C)(C)c1ccc(C(=O)NN)cc1 |
| InChIKey | XYUFQWDLRLHUPB-UHFFFAOYSA-N |
| PubChem CID | 123513 |
| EC No. | 256-090-9 |
| DTXSID | DTXSID7074747 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 55.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 200 |
| Physical Description | Dry Powder |
| 녹는점 | 120-127 °C(lit.) |
| 밀도 | 1.046±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 용해도 | 메탄올에 용해됨 |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 12.82±0.10(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 1104663 |
| InChI | InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14) |
| InChIKey | XYUFQWDLRLHUPB-UHFFFAOYSA-N |
| SMILES | C(NN)(=O)C1=CC=C(C(C)(C)C)C=C1 |
| NIST | 4-Tert-butylbenzoic acid hydrazide(43100-38-5) |
| EPA | Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (43100-38-5) |
화학적 성질
white to light beige crystalline powder or
안전 및 규제
| GHS 분류 | WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (88.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29280000 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 24/25-36/37-26-37 |
| 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
4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.