Basic information
- CAS
1098183-73-3- Standard SMILES
OC1(C(F)(F)F)CCC1- InChIKey
LAVGIFVKTRAAKV-UHFFFAOYSA-N- Molecular formula
- C5H7F3O
- Average molar mass
- 140.1 g/mol
- Monoisotopic mass
- 140.04489933
Names & identifiers
- Preferred name
- 1-(Trifluoromethyl)cyclobutanol
- IUPAC
- 1-(trifluoromethyl)cyclobutan-1-ol
- English name
- 1-(Trifluoromethyl)cyclobutan-1-ol
- Molecular formula
- C5H7F3O
- Molecular weight
- 140.1
Names & synonyms
1-(trifluoromethyl)cyclobutan-1-ol1098183-73-31-(Trifluoromethyl)cyclobutanolDTXSID201303873RefChem:428825DTXCID801733901820-024-2MFCD160679441-trifluoromethyl-cyclobutanolSCHEMBL601698SCHEMBL601699SCHEMBL16029985
Show more names
Cyclobutanol, 1-(trifluoromethyl)-1-(trifluoromethyl)cyclobutan-1-ol - [T81359]
AC2922AKOS010909220AB91373SY140690TS-01818EN300-104181F803020F8880-6073
Database identifiers
- CAS
1098183-73-3- PubChem CID
- 57445156
- DTXSID
DTXSID201303873- EC Number
- 820-024-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 98.5 · 98.5±35.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.6 · 12.60±0.20(Predicted)
- Appearance
- colorless to yellow liquid
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H226-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H319-H226-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers14 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
成都神射手医药科技有限公司028-62577698; 19950139520 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
Related reactions
6 records
Compound notes
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