기본 정보
- CAS
56617-43-7- 표준 SMILES
O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1- InChIKey
JYYMPQMWOVXMDK-UHFFFAOYSA-N- 분자식
- C11H10FNO3
- 평균 분자량
- 223.2 g/mol
- 단동위원소 질량
- 223.06447134
이름 및 식별자
- 우선 이름
- 1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- 현지명
- 1-(4-플루오로-페닐)-5-옥소-피롤리딘-3-카르복실산
- 영어명
- 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
- 분자식
- C11H10FNO3
- 분자량
- 223.2
이름 및 동의어
1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acidRefChem:425593675-231-956617-43-71-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acidMFCD015693111-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acidF0919-1630MLS0000627433-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo-4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone
이름 더 보기
1-(4-플루오로-페닐)-5-옥소-피롤리딘-3-카르복실산AKOS BB-6997BUTTPARK 21\07-89ZERENEX E/5111237TIMTEC-BB SBB011502IFLAB-BB F0919-16304-Carboxy-1-(4-fluorophenyl)pyrrolidin-2-one1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylicaci1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid
Oprea1_485102Oprea1_585069SCHEMBL2221436CHEMBL1345646JYYMPQMWOVXMDK-UHFFFAOYSA-NHMS2369J14SMSSF-0062559ALBB-000142
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 57.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 300
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 4 reports by companies from 4 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 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2916399090
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사16 곳
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
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