Basic information
- CAS
243128-44-1- Standard SMILES
Cc1c(N)cc(C(F)(F)F)cc1C(F)(F)F- InChIKey
KWCSYADBUUUTPF-UHFFFAOYSA-N- Molecular formula
- C9H7F6N
- Average molar mass
- 243.15 g/mol
- Monoisotopic mass
- 243.0482682
Names & identifiers
- Preferred name
- 2-Methyl-3,5-bis(trifluoromethyl)aniline
- IUPAC
- 2-methyl-3,5-bis(trifluoromethyl)aniline
- English name
- 2-Methyl-3,5-di(trifluoromethyl)aniline
- Molecular formula
- C9H7F6N
- Molecular weight
- 243.15
Names & synonyms
2-methyl-3,5-bis(trifluoromethyl)aniline243128-44-12-methyl-3,5-di(trifluoromethyl)aniline3,5-Bis(trifluoromethyl)-2-methylanilineMFCD00729099SCHEMBL3282157DTXSID10371172HMS1609E02CL8989SBB099692AKOS001603932DS-3388
Show more names
Benzenamine, 2-methyl-3,5-bis(trifluoromethyl)-
2-Methyl-35-bis(trifluoromethyl)anilineSY109881DB-004886CS-00631663,5-bis(trifluoromethyl)-2-methylphenylamineF093940SR-01000414353SR-01000414353-1
Database identifiers
- CAS
243128-44-1- PubChem CID
- 2736159
- DTXSID
DTXSID10371172
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 120 · 120-121/43mm
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.01 · 2.01±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Note
- Harmful
- HS Code
- 2921420090 · 2921420090
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
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers27 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海巨启化学科技有限公司+86-021-34943721; +86-18616806816 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
2 records
Compound notes
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