Completing data — refresh the page later to see the latest
Basic information
- CAS
56617-43-7- Standard SMILES
O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1- InChIKey
JYYMPQMWOVXMDK-UHFFFAOYSA-N- Molecular formula
- C11H10FNO3
- Average molar mass
- 223.2 g/mol
- Monoisotopic mass
- 223.06447134
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
- Molecular formula
- C11H10FNO3
- Molecular weight
- 223.2
Names & synonyms
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
Show more names
AKOS 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
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- hs_code
- 2916399090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers16 total
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]
Related reactions
9 records
Compound notes
Loading…