Basic information
- CAS
235106-09-9- Standard SMILES
NCc1ccc(C(F)(F)F)c(F)c1- InChIKey
XYWYEOHNURYGGP-UHFFFAOYSA-N- Molecular formula
- C8H7F4N
- Average molar mass
- 193.14 g/mol
- Monoisotopic mass
- 193.05146188
Names & identifiers
- Preferred name
- 3-Fluoro-4-(trifluoromethyl)benzylamine
- IUPAC
- [3-fluoro-4-(trifluoromethyl)phenyl]methanamine
- English name
- 3-Fluoro-4-(trifluoromethyl)benzylamine
- Molecular formula
- C8H7F4N
- Molecular weight
- 193.14
Names & synonyms
3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9DTXSID50372148RefChem:279410DTXCID60323181[3-fluoro-4-(trifluoromethyl)phenyl]methanamineMFCD00236287(3-fluoro-4-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 3-fluoro-4-(trifluoromethyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methylamine3-fluoro-4-trifluoromethylbenzylamineSCHEMBL297408
Show more names
RARECHEM AL BW 08753-Fluoro-4-(trifluoromethyl)benzylamine 97%3-Fluoro-4-(trifluoromethyl)benzenemethanamine
SCHEMBL19356858SCHEMBL301396521-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINESBB091540AKOS006228783PS-8323s10416AC-25952
Database identifiers
- CAS
235106-09-9- PubChem CID
- 2737567
- DTXSID
DTXSID50372148- EC Number
- 679-159-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 195.1 · 195.1±35.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- refractive index
- 1.453 · 1.453
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 8.34 · 8.34±0.10(Predicted)
- form
- liquid
- color
- Clear, yellow to light yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
- InChIKey
- XYWYEOHNURYGGP-UHFFFAOYSA-N
- SMILES
- NCc1ccc(c(F)c1)C(F)(F)F
- CAS DataBase Reference
- 235106 · 235106-09-9(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- hs_code
- 2921490090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Store under nitrogen
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers53 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
陕西宇鼎卓医药科技有限公司
Related reactions
27 records
Compound notes
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