Basic information
- CAS
1743-98-2- Standard SMILES
CCOC(Cc1ccc(F)cc1)OCC- InChIKey
KHBPNUUPZGUYDW-UHFFFAOYSA-N- Molecular formula
- C12H17FO2
- Average molar mass
- 212.26 g/mol
- Monoisotopic mass
- 212.12125794
Names & identifiers
- Preferred name
- 1-(2,2-Diethoxyethyl)-4-fluorobenzene
- IUPAC
- 1-(2,2-diethoxyethyl)-4-fluorobenzene
- English name
- 1-(2,2-diethoxyethyl)-4-fluorobenzene
- Molecular formula
- C12H17FO2
- Molecular weight
- 212.26
Names & synonyms
1-(2,2-Diethoxyethyl)-4-fluorobenzene1743-98-2EINECS 217-115-9DTXSID50169813RefChem:73953DTXCID2092304217-115-9Benzene, 1-(2,2-diethoxyethyl)-4-fluoro-MFCD11554373SCHEMBL5758636KHBPNUUPZGUYDW-UHFFFAOYSA-N1-(2,2-diethoxyethyl)-4-fluoro-benzene
Show more names
CS-0239210NS00046820EN300-207746F656284
Database identifiers
- CAS
1743-98-2- PubChem CID
- 74453
- DTXSID
DTXSID50169813- EC Number
- 217-115-9
- Nikkaji
- J203.153A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 78 · 78-80 °C(Press: 3.5 Torr)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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