Basic information
- CAS
133077-42-6- Standard SMILES
O=C(O)CCOc1cccc(F)c1- InChIKey
TWGIQPNNPXKPLC-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357237
Names & identifiers
- Preferred name
- 3-(3-Fluorophenoxy)propanoic acid
- IUPAC
- 3-(3-fluorophenoxy)propanoic acid
- English name
- 3-(3-FLUORO-PHENOXY)-PROPIONIC ACID
- Molecular formula
- C9H9FO3
- Molecular weight
- 184.16
Names & synonyms
3-(3-fluorophenoxy)propanoic acid133077-42-6DTXSID30567999RefChem:92310DTXCID20518773829-573-23-(3-Fluorophenoxy)propionic Acid3-(3-Fluoro-phenoxy)-propionic acidMFCD01931913Propanoic acid, 3-(3-fluorophenoxy)-3-(3-Fluorophenoxy)propionicAcidAKOS BB659
Show more names
SCHEMBL1889231AKOS BBV-009270SCHEMBL29757228TWGIQPNNPXKPLC-UHFFFAOYSA-N3-(3-fluorophenoxy) propionic acid3-(3-fluorophenoxy)-propionic acidAC1671SBB085423
Database identifiers
- CAS
133077-42-6- PubChem CID
- 15086015
- DTXSID
DTXSID30567999- EC Number
- 829-573-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 262.2 · 262.2±15.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.17 · 4.17±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers35 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
成都市佳和彬科技有限公司028-61186694 15608078506 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
9 records
Compound notes
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