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Basic information
- CAS
774-18-5- Standard SMILES
NCCc1ccccc1C(F)(F)F- InChIKey
LIERORLYMWHXDL-UHFFFAOYSA-N- Molecular formula
- C9H10F3N
- Average molar mass
- 189.18 g/mol
- Monoisotopic mass
- 189.07653381
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)phenethylamine
- IUPAC
- 2-[2-(trifluoromethyl)phenyl]ethanamine
- English name
- o-(trifluoromethyl)phenethylamine
- Molecular formula
- C9H10F3N
- Molecular weight
- 189.18
Names & synonyms
774-18-5o-(Trifluoromethyl)phenethylamine2-(2-(Trifluoromethyl)phenyl)ethanamine2-(trifluoromethyl)phenethylamine2-[2-(trifluoromethyl)phenyl]ethan-1-amine2-[2-(trifluoromethyl)phenyl]ethanamineBenzeneethanamine, 2-(trifluoromethyl)-QWY96YFJ3Y2-(2-(trifluoromethyl)phenyl)ethan-1-amineEINECS 212-262-5DTXSID802281092-(trifluoromethyl)Benzeneethanamine
Show more names
2-trifluoroMethylphenylethanaMine2-(o-Trifluoromethylphenyl)ethylamineBenzeneethanamine,2-(trifluoromethyl)-2-[2-(Trifluoromethyl)phenyl]ethylamine,95%2-[2-(trifluoromethyl)phenyl]ethan-1-amine - [T87406]
O-(TRIFLUOROMETHYL)BENZENEETHANAMINEBENZENEETHANAMINE, O-(TRIFLUOROMETHYL)-RefChem:462577DTXCID50150600212-262-52-(2-Trifluoromethylphenyl)ethylamine2-(2-trifluoromethyl-phenyl)-ethylamine2-[2-(trifluoromethyl)phenyl]ethylamine
Database identifiers
- CAS
774-18-5- PubChem CID
- 69883
- DTXSID
DTXSID80228109- UNII
- QWY96YFJ3Y
- EC Number
- 212-262-5
- Nikkaji
- J193.158J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 199 ℃ · 199℃
- Density
- 1.186 · 1.186
- Flash point
- 80 ℃ · 80℃
- form
- Liquid
- pka
- 9.58 · 9.58±0.10(Predicted)
- color
- Pale yellow
- CAS DataBase Reference
- 774 · 774-18-5
- FDA UNII
- 96 YFJ3Y · QWY96YFJ3Y
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- ridadr
- UN2735
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers42 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州安轩化工有限公司13912302692 · [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]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
上海庞通生物科技有限公司13636417373 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Honest Joy Holdings Limited755-36694831 +8613798234863 · [email protected]
Related reactions
7 records
Compound notes
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