Basic information
- CAS
758-42-9- Standard SMILES
O=C(C(F)(F)F)C(Cl)(Cl)Cl- InChIKey
AVTAIKNWAIKGEV-UHFFFAOYSA-N- Molecular formula
- C3Cl3F3O
- Average molar mass
- 215.38 g/mol
- Monoisotopic mass
- 213.896682
Names & identifiers
- Preferred name
- 1,1,1-Trichloro-3,3,3-trifluoroacetone
- IUPAC
- 1,1,1-trichloro-3,3,3-trifluoropropan-2-one
- English name
- 1,1,1-Trichlorotrifluoroacetone
- Molecular formula
- C3Cl3F3O
- Molecular weight
- 215.39
Names & synonyms
758-42-91,1,1-Trichloro-3,3,3-trifluoroacetone1,1,1-Trichloro-3,3,3-trifluoro-2-propanoneEINECS 212-063-3DTXSID50226713RefChem:409424DTXCID80149204212-063-31,1,1-Trichlorotrifluoroacetone1,1,1-trichloro-3,3,3-trifluoropropan-2-onetrichlorotrifluoroacetoneMFCD00042128
Show more names
TCTFA2,4,6-Trichlorothiophenol1,1,1-Trichlorotrifluoroacetone97%1,1,1-Trichlorotrifluoroacetone 97%1，1，3-Trichloro-1，3，3-trirluoroacetone3,3,3-Trichloro-1,1,1-trifluoroacetone 97%
3,3,3-trichloro-1,1,1-trifluoroacetone2-Propanone,1,1,1-trichloro-3,3,3-trifluoro-AQ49F6UJ5G2-Propanone, 1,1,1-trichloro-3,3,3-trifluoro-SCHEMBL2275880SBB095150AKOS015848703BS-25962
Database identifiers
- CAS
758-42-9- PubChem CID
- 69796
- DTXSID
DTXSID50226713- UNII
- AQ49F6UJ5G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 86 °C · 86 °C
- Density
- 1 · 1,6 g/cm3
- refractive index
- 1.381 · 1.381
- form
- liquid
- color
- clear
- CAS DataBase Reference
- 758 · 758-42-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H301+H311+H331
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- HazardClass
- CORROSIVE
- HS Code
- 2914790090 · 2914790090
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]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, 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. 3 (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2914790090
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
- Hazard statements
- H314-H301+H311+H331
- Precautionary statements
- P280-P309+P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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