Basic information
- CAS
66574-84-3- Standard SMILES
CC(=O)NC(Cc1ccccc1F)C(=O)O- InChIKey
ZKZPFAQDTBSPJH-UHFFFAOYSA-N- Molecular formula
- C11H12FNO3
- Average molar mass
- 225.22 g/mol
- Monoisotopic mass
- 225.08012146
Overview
N-acetyl-o-fluoro-dl-phenylalanine is a phenylalanine derivative.
Names & identifiers
- Preferred name
- N-Acetyl-2-fluoro-3-phenyl-DL-alanine
- IUPAC
- 2-acetamido-3-(2-fluorophenyl)propanoic acid
- English name
- N-ACETYL-2-FLUORO-DL-PHENYLALANINE
- Molecular formula
- C11H12FNO3
- Molecular weight
- 225.22
Names & synonyms
66574-84-3n-acetyl-2-fluorophenylalanineEINECS 266-409-3N-Acetyl-2-fluoro-3-phenyl-DL-alanineDTXSID801305639NSC 270550RefChem:828849DTXCID901735617266-409-32-acetamido-3-(2-fluorophenyl)propanoic acidN-Acetyl-2-fluoro-DL-phenylalanineN-Acetyl-dl-o-fluorophenylalanine
Show more names
Ac-Phe(2-F)-OHVenadaparib Impurity 74N-ACETYL FLUOROPHENYLALANINEN-ACETYL-DL-2-FLUOROPHENYLALANINEPhenylalanine, N-acetyl-2-fluoro-(±)-N-Acetyl-2-fluorophenylalanineACETYL-DL-O-FLUOROPHENYLALANINE, N-
MFCD000179152-(acetylamino)-3-(2-fluorophenyl)propanoic acidNSC270550DL-Phenylalanine, N-acetyl-2-fluoro-SCHEMBL503585CHEBI:191060ZKZPFAQDTBSPJH-UHFFFAOYSA-NBDBM222297
Database identifiers
- CAS
66574-84-3- PubChem CID
- 99935
- DTXSID
DTXSID801305639- ChEBI
CHEBI:191060- EC Number
- 266-409-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 153 · 153-155 °C(lit.)
- Boiling point
- 453.5 · 453.5±40.0 °C(Predicted)
- Density
- 1.2317 · 1.2317 (estimate)
- storage temp.
- Keep Cold
- pka
- 3.55 · 3.55±0.11(Predicted)
- CAS DataBase Reference
- 66574 · 66574-84-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Keep Cold
- HS Code
- 29224985 · 29224985
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29224985
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 24/25
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Additional notes
DefinitionChEBI: N-acetyl-o-fluoro-dl-phenylalanine is a phenylalanine derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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