Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Semicarbazide
hydrazinecarboxamide · aminourea · Aminomocovina · C02077 · amino-ure · Carbazamide · Urea, amino- · Semikarbazid
식별자 및 물리적 특성
| CAS No. | 57-56-7 |
|---|---|
| 분자식 | CH5N3O |
| 평균 분자량 | 75.07 g/mol |
| 단동위원소 질량 | 75.04326178 g/mol |
| SMILES | NNC(N)=O |
| InChIKey | DUIOPKIIICUYRZ-UHFFFAOYSA-N |
| PubChem CID | 5196 |
| ChEMBL | CHEMBL903 |
| ChEBI | CHEBI:28306 |
| EC No. | 200-339-6 |
| DTXSID | DTXSID7043823 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 81.1 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 42.2 |
| 물질 분류 | Nitrogen Compounds -> Hydrazides |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| 녹는점 | 96°C |
| 끓는 점 | 133.71°C (rough estimate) |
| 밀도 | 1.286±0.06 g/cm3(Predicted) |
| 굴절률 | 1.4451 (estimate) |
| 저장 조건 | 2-8°C, protect from light |
| 물리적 상태 | powder |
| pKa(산도 계수) | pK1:3.53(+1) (25°C,μ=0.1) |
| InChI | 1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) |
| InChIKey | DUIOPKIIICUYRZ-UHFFFAOYSA-N |
| SMILES | NNC(N)=O |
| NIST | Hydrazinecarboxamide-(57-56-7) |
| EPA | Semicarbazide (57-56-7) |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Regulation (EC) No 178/2002 (amended) |
| 유해성 요약 | Developmental toxicity and teratogenicity observed in rats from single 17 mg/kg dosesTeratogenicity also observed in chickens[REPROTOX] Causes convulsion in oral, intraperitoneal, and intravenous lethal-dose studies of mice[RTECS] See Semicarbazide hydrochloride. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 22 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
개요
Semicarbazide (SM) is a metabolite of the nitrofurane Nitrofurazone (5-nitro-2- furaldehyde-semicarbazone), used as indicator to detect the use of nitrofurazone in food-producing animals due to their carcinogenic properties the use of nitrofurans is prohibited within the EU in animal breeding (Commission Regulation 37/2010) . to harmonise the detection of semicarbazide a Minimum Required Performance Limit (MRPL) of 1 µg/kg is set within the EU (Commission Decision 2003/181).
용도
Semicarbazide is used as a potent nucleophile; forms many crystalline carbonyl derivatives.