Semicarbazide
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기본 정보
- CAS
57-56-7- 표준 SMILES
NNC(N)=O- InChIKey
DUIOPKIIICUYRZ-UHFFFAOYSA-N- 분자식
- CH5N3O
- 평균 분자량
- 75.07 g/mol
- 단동위원소 질량
- 75.04326178
개요
Semicarbazide is a monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine. It is a monocarboxylic acid amide, a carbohydrazide, a member of ureas and a one-carbon compound.
이름 및 식별자
- 우선 이름
- Semicarbazide
- IUPAC
- aminourea
- 영어명
- Semicarbazide
- 분자식
- CH5N3O
- 분자량
- 75.07
이름 및 동의어
SemicarbazideHYDRAZINECARBOXAMIDEAminourea57-56-7CarbamylhydrazineCarbazamideSemikarbazidAminomocovinaCarbamoylhydrazineCarbamic acid, hydrazide37QUC23K2XDTXSID7043823
이름 더 보기
C02077amino-ureCarbazinamide
CHEBI:28306RefChem:182342DTXCID5023823200-339-6Urea, amino-AminoharnstoffHydrazine, carbamoyl-Carbamidsaeurehydrazid
데이터베이스 식별자
- CAS
57-56-7- PubChem CID
- 5196
- DTXSID
DTXSID7043823- ChEMBL
CHEMBL903- ChEBI
CHEBI:28306- UNII
- 37QUC23K2X
- EC Number
- 200-339-6
- Nikkaji
- J4.582I
물성
구조 계산 물성보충 중
- XLogP
- -1.8
- 극성 표면적
- 81.1 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Hydrazides
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
물리화학적 성질
- 녹는점
- 96 °C · 96°C
- 끓는 점
- 133.71 °C · 133.71°C (rough estimate)
- 밀도
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- 굴절률
- 1.4451 · 1.4451 (estimate)
- 저장 조건
- 2 · 2-8°C, protect from light
- 물리적 상태
- powder
- 산도 계수 (pKa)
- 1 · 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (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.
유해성 정보
Regulatory InformationRegulation (EC) No 178/2002 (amended)
Hazards Summary
Developmental toxicity and teratogenicity observed in rats from single 17 mg/kg doses; Teratogenicity also observed in chickens; [REPROTOX] Causes convulsion in oral, intraperitoneal, and intravenous lethal-dose studies of mice; [RTECS] See Semicarbazide hydrochloride.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 22
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
용도 및 제조
Uses
Produced in trace amounts from heat processing of jar-seals containing azodicarbonamide; [REPROTOX] Found in foods from the thermal breakdown of azodicarbonamide in sealing gaskets used on metal lids of jars and bottles; Also a metabolite of the veterinary medication nitrofurazone (banned in the EU); [ExPub: The EFSA Journal (2005) 219, 1-36]
General Manufacturing InformationHydrazinecarboxamide: ACTIVE
응용 분야
개요Semicarbazide (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).
용도Semicarbazide is used as a potent nucleophile; forms many crystalline carbonyl derivatives.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine.
관련 반응
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