기본 정보
- CAS
103-03-7- 표준 SMILES
NC(=O)NNc1ccccc1- InChIKey
AVKHCKXGKPAGEI-UHFFFAOYSA-N- 분자식
- C7H9N3O
- 평균 분자량
- 151.17 g/mol
- 단동위원소 질량
- 151.07456192
이름 및 식별자
- 우선 이름
- Phenicarbazide
- IUPAC
- anilinourea
- 현지명
- 1-페닐세미카르브아지드
- 영어명
- 1-Phenylsemicarbazide
- 분자식
- C7H9N3O
- 분자량
- 151.17
이름 및 동의어
Phenicarbazide1-Phenylsemicarbazide2-PhenylhydrazinecarboxamideanilinoureaKryogeninPhenicarbazidCarbaphenPhenygeninePhenylsemicarbazideFebrimin1-Carbamyl-2-phenylhydrazineFenicarbazida
이름 더 보기
1-페닐세미카르브아지드CRYOGENINE
FenylsemikarbazidCryogenine (pharmaceutical)1-Carbamoyl-2-phenylhydrazine2-PhenyldiazenecarboxamideSemicarbazide, 1-phenyl-FenicarbazidePhenicarbazidumCarbamic acid, 2-phenylhydrazide
데이터베이스 식별자
- CAS
103-03-7- PubChem CID
- 61002
- DTXSID
DTXSID9020245- ChEMBL
CHEMBL1593719- ChEBI
CHEBI:82521- UNII
- 1LR2578324
- EC Number
- 203-072-3
- Nikkaji
- J5.011C
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
물리화학적 성질
- 녹는점
- 171 · 171-174 °C (lit.)
- 끓는 점
- 273.17 °C · 273.17°C (rough estimate)
- 밀도
- 1.21 · 1.2100 (rough estimate)
- 굴절률
- 1.586 · 1.5860 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 아세톤: 매우 용해됨(lit.)
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 11.16 · 11.16±0.43(Predicted)
- 색상
- 흰색에서 밝은 노란색
- BRN
- 743311 · 743311
- InChI
- 1S/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)
- InChIKey
- AVKHCKXGKPAGEI-UHFFFAOYSA-N
- SMILES
- NC(=O)NNc1ccccc1
- EPA
- Phenicarbazide (103-03-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (13.3%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 45 reports by companies from 5 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)；Skin Irrit. 2 (15.6%)；Eye Irrit. 2A (15.6%)；STOT SE 3 (13.3%)；Carc. 2 (13.3%)
독성 정보
Carcinogen Classification
Phenicarbazide
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 12: (1976) Some Carbamates, Thiocarbamates and Carbazides；Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
1987
1987
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing InformationHydrazinecarboxamide, 2-phenyl-: INACTIVE
응용 분야
용도1-Phenylsemicarbazide was used in the synthesis of a series of alkyl(aryl/heteroaryl) substituted 3-trifluoromethyl-1H-1-phenylpyrazoles and alkyl 3-carboxylate analogs by the cyclocondensation reactions with 4-alkoxy-1,1,1-trihaloalk-3-en-2-ones.
상·하류 제품 정보
상류 원료
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