Basic information
- CAS
97566-69-3- Standard SMILES
CC(C)Oc1ccc(N)cc1F- InChIKey
ICUXLCRUPIGCIB-UHFFFAOYSA-N- Molecular formula
- C9H12FNO
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.09029217
Names & identifiers
- Preferred name
- 3-Fluoro-4-isopropoxyaniline
- IUPAC
- 3-fluoro-4-propan-2-yloxyaniline
- English name
- 3-fluoro-4-isopropoxybenzenaMine
- Molecular formula
- C9H12FNO
- Molecular weight
- 169.2
Names & synonyms
3-Fluoro-4-isopropoxyaniline97566-69-33-FLUORO-4-ISOPROPOXYBENZENAMINEMFCD111933113-Fluoro-4-isopropoxyphenylamine3-fluoro-4-propan-2-yloxyanilineBenzenamine, 3-fluoro-4-(1-methylethoxy)-3-fluoro-4-isopropoxy-anilineSCHEMBL2229809DTXSID60651875ICUXLCRUPIGCIB-UHFFFAOYSA-N3-Fluoro-4-isopropoxy-phenylamine
Show more names
3-fluoro-4-(propan-2-yloxy)anilineAKOS0092601183-Fluoro-4-[(propan-2-yl)oxy]anilineAS-30630SY078615DB-128362CS-0209458EN300-1295093
Database identifiers
- CAS
97566-69-3- PubChem CID
- 28972741
- DTXSID
DTXSID60651875- EC Number
- 169-802-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 266.2 · 266.2±20.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 5.13 · 5.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-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
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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers15 total
韶远科技(上海)有限公司4000665055 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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