Basic information
- CAS
191725-90-3- Standard SMILES
C[C@H](C(=O)O)c1ccc(F)cc1- InChIKey
IXSCGBODJGIJNN-LURJTMIESA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- (2S)-2-(4-fluorophenyl)propanoic acid
- IUPAC
- (2S)-2-(4-fluorophenyl)propanoic acid
- English name
- (2S)-2-(4-Fluorophenyl)propanoic acid
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.1649632
Names & synonyms
191725-90-3(2S)-2-(4-fluorophenyl)propanoic acidRefChem:398135838-729-9(S)-2-(4-Fluorophenyl)propanoic acidMFCD17215398Benzeneacetic acid, 4-fluoro-alpha-methyl-, (alphaS)-(S)-2-(4-Fluoro-phenyl)-propionic acidRX4MVG6YB4SCHEMBL4767889IXSCGBODJGIJNN-LURJTMIESA-N(S)-2-(4-Fluorophenyl)propanoicacid
Show more names
(S)-4-fluoro-α-methylphenylacetic acidBenzeneacetic acid, 4-fluoro-α-methyl-, (αS)-(S)-2-(4-Fluorophenyl)propanoic acid - [F91676]
SY350854(S)-4-fluoro-alpha-methylphenylacetic acid2-(4-Fluorophenyl)propanoic acid, (2S)-G61886(alphaS)-4-Fluoro-alpha-methylbenzeneacetic acidEN300-2502002Benzeneacetic acid, 4-fluoro-alpha-methyl-, (S)-F551482
Database identifiers
- CAS
191725-90-3- PubChem CID
- 6950752
- UNII
- RX4MVG6YB4
- EC Number
- 838-729-9
- Nikkaji
- J1.734.318A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 258.8 · 258.8±15.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture and light
- pka
- 4.31 · 4.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 332 · H332-H312-H301
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- Hazard statements
- H332-H312-H301
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
2 records
Compound notes
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