Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6442생성일: 2026년 10월 27일
2-메틸-2-니트로프로판-1-올
2-메틸-2-니트로프로판-1-올 · 1-Propanol, 2-methyl-2-nitro- · 2-Methyl-2-nitropropanol · 2-methyl-2-nitro-1-propano · 2-NITRO-2-METHYL-1-PROPANOL · 2-METHYL-2-NITRO-1-PROPANOL · 2-NITROISOBUTANOL · Methylnitropropanol
https://huagongshe.com/ko/chemical/6442
식별자 및 물리적 특성
| CAS No. | 76-39-1 |
|---|
| 분자식 | C4H9NO3 |
|---|
| 평균 분자량 | 119.12 g/mol |
|---|
| 단동위원소 질량 | 119.05824315 g/mol |
|---|
| SMILES | CC(C)(CO)[N+](=O)[O-] |
|---|
| InChIKey | MVGJRISPEUZYAQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 6442 |
|---|
| ChEMBL | CHEMBL3187854 |
|---|
| EC No. | 200-957-6 |
|---|
| DTXSID | DTXSID8026436 |
|---|
| 현지명 | 2-메틸-2-니트로프로판-1-올 |
|---|
화학 및 물리적 성질
| XLogP | -0.1 |
|---|
| 극성 표면적 | 66.1 |
|---|
| 수소 결합 공여자 수 | 1 |
|---|
| 수소 결합 수용자 수 | 3 |
|---|
| 회전 가능 결합 수 | 1 |
|---|
| 무거운 원자 수 | 8 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 93.9 |
|---|
| 물질 분류 | Nitrogen Compounds -> Nitros, Aliphatic |
|---|
| SpringerMaterials Properties | Fusion temperature |
|---|
| 증기압 | 0.09 [mmHg] |
|---|
| Physical Description | LiquidColorless solid[CHEMINFO] |
|---|
| 녹는점 | 86-89 °C(lit.) |
|---|
| 끓는 점 | 94-95 °C10 mm Hg(lit.) |
|---|
| 밀도 | 1.0765 (estimate) |
|---|
| 굴절률 | 1.4413 (estimate) |
|---|
| pKa(산도 계수) | 13.79±0.10(Predicted) |
|---|
| InChI | InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3 |
|---|
| InChIKey | MVGJRISPEUZYAQ-UHFFFAOYSA-N |
|---|
| SMILES | C(O)C(C)([N+]([O-])=O)C |
|---|
| NIST | 1-Propanol, 2-methyl-2-nitro-(76-39-1) |
|---|
| EPA | 1-Propanol, 2-methyl-2-nitro- (76-39-1) |
|---|
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| 규제 정보 | Chemical: 1-Propanol, 2-methyl-2-nitro-1-Propanol, 2-methyl-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2-methyl-2-nitro- 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: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20133 |
|---|
| 유해성 요약 | A severe eye irritant (rabbits)Causes ataxia, respiratory depression, and hematuria after oral lethal doses in rats[RTECS] A strong eye irritant, based on animal studies[eChemPortal: HPVIS] May cause irritation[MSDSonline] |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
|---|
| 수질 위해 등급(WGK) | 3 |
|---|
| TSCA 등재 상태 | TSCA listed |
|---|
| RTECS 번호 | UB8575000 |
|---|
| 기존화학 물질 | KE-24462 |
|---|
| 유해 물질 데이터 | 76-39-1(Hazardous Substances Data) |
|---|
