Basic information
- CAS
175136-60-4- Standard SMILES
FC(F)(F)c1cc(-n2cccc2)cc(C(F)(F)F)c1- InChIKey
BKSCRBOUGNMEKQ-UHFFFAOYSA-N- Molecular formula
- C12H7F6N
- Average molar mass
- 279.18 g/mol
- Monoisotopic mass
- 279.0482682
Names & identifiers
- Preferred name
- 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole
- IUPAC
- 1-[3,5-bis(trifluoromethyl)phenyl]pyrrole
- English name
- 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE
- Molecular formula
- C12H7F6N
- Molecular weight
- 279.18
Names & synonyms
175136-60-41-[3,5-bis(trifluoromethyl)phenyl]pyrrole1-(3,5-Bis(trifluoromethyl)phenyl)-1H-pyrrole1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrroleMFCD00053048CDS1_000532Maybridge1_0028201H-Pyrrole, 1-[3,5-bis(trifluoromethyl)phenyl]-DivK1c_001572SCHEMBL2753156SCHEMBL5545624HMS549I04
Show more names
1-3,5-Bis(Trifluoromethyl)Pheny1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole97%1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%1-3,5-Bis(trifluoromethyl)phenylüpyrrole, 97%1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole97%1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole 97%
DTXSID00371186BKSCRBOUGNMEKQ-UHFFFAOYSA-NAKOS001476540CCG-243686FS-3974SB62109[3,5-bis(trifluoromethyl)phenyl]pyrroleDB-025581
Database identifiers
- CAS
175136-60-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 43 °C · 43 °C
- Boiling point
- 84 °C · 84 °C
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -6.04 · -6.04±0.70(Predicted)
- CAS DataBase Reference
- 175136 · 175136-60-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers18 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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