Basic information
- CAS
201789-28-8- Standard SMILES
N#CCc1ccc(C(F)(F)F)cc1C(F)(F)F- InChIKey
BJEJFFSIEUOCNS-UHFFFAOYSA-N- Molecular formula
- C10H5F6N
- Average molar mass
- 253.14 g/mol
- Monoisotopic mass
- 253.03261814
Names & identifiers
- Preferred name
- 2,4-Bis(Trifluoromethyl)Phenylacetonitrile
- IUPAC
- 2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile
- English name
- 2,4-Bis(Trifluoromethyl)Phenylacetonitrile
- Molecular formula
- C10H5F6N
- Molecular weight
- 253.14
Names & synonyms
2,4-Bis(Trifluoromethyl)Phenylacetonitrile201789-28-8DTXSID60371182RefChem:246039DTXCID203222162-(2,4-Bis(trifluoromethyl)phenyl)acetonitrile2-[2,4-bis(trifluoromethyl)phenyl]acetonitrileMFCD000424902,4-Bis(trifluoromethyl)benzeneacetonitrile[2,4-Bis(trifluoromethyl)phenyl]acetonitrile2-[2,4-bis(trifluoromethyl)phenyl]ethanenitrile2,4-Bis(trifluoromethyl)benzyl cyanide
Show more names
2,4-bis(trifluoromethyl)phenylethanenitrile2,4-Bis(trifluoromethyl)phenylacetonitrile98%Benzeneacetonitrile, 2,4-bis(trifluoromethyl)-
SCHEMBL5929043BJEJFFSIEUOCNS-UHFFFAOYSA-NCK2051SBB101229AKOS015852815PS-7443DB-045120CS-0103700
Database identifiers
- CAS
201789-28-8- PubChem CID
- 2736175
- DTXSID
DTXSID60371182- EC Number
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 202 ℃ · 202℃
- Density
- 1.385 · 1.385
- Flash point
- 76 ℃ · 76℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Suppliers21 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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