Basic information
- CAS
284027-37-8- Standard SMILES
FC(F)(F)c1ccc2c(c1)CCNC2- InChIKey
WOTVKLYMZOREFJ-UHFFFAOYSA-N- Molecular formula
- C10H10F3N
- Average molar mass
- 201.19 g/mol
- Monoisotopic mass
- 201.07653398
Names & identifiers
- Preferred name
- 6-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
- English name
- 6-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline
- Molecular formula
- C10H10F3N
- Molecular weight
- 201.19
Names & synonyms
284027-37-86-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolineDTXSID70592583RefChem:539951DTXCID60543347893-706-06-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE6-Trifluoromethyl-1,2,3,4-tetrahydroisoquinolineMFCD08752598SCHEMBL329770SCHEMBL586533ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-(TRIFLUOROMETHYL)-
Show more names
6-Trifluoromethyl-1,2,3,4-tetrahydroisoquinoline (Related Reference)
AKOS015852835AB48933AS-68161SY211610DB-032384CS-0047265EN300-3212306-(Trifluoromethyl)-1234-tetrahydroisoquinoline
Database identifiers
- CAS
284027-37-8- PubChem CID
- 18176519
- DTXSID
DTXSID70592583- EC Number
- 893-706-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 228.9 · 228.9±35.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.68 · 8.68±0.20(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers33 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
瀚商化工科技有限公司021-50521775 15800962688
百盛HK进出口有限公司+86-18068513926
Xunteng International Trading Co.,Limited—
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
嘉兴诺华化工有限公司18957373295
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Related reactions
12 records
Compound notes
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