Basic information
- CAS
21172-28-1- Standard SMILES
NCC(O)c1cccc(C(F)(F)F)c1- InChIKey
RRBRWAPWPGAJMA-UHFFFAOYSA-N- Molecular formula
- C9H10F3NO
- Average molar mass
- 205.18 g/mol
- Monoisotopic mass
- 205.0714486
Names & identifiers
- Preferred name
- 2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
- IUPAC
- 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
- English name
- 2-Amino-1-[3-(trifluoromethyl)phenyl]ethanol
- Molecular formula
- C9H10F3NO
- Molecular weight
- 205.18
Names & synonyms
2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-olDTXSID009435042-amino-1-(3-(trifluoromethyl)phenyl)ethan-1-olRefChem:463250DTXCID101371869992-077-021172-28-12-amino-1-[3-(trifluoromethyl)phenyl]ethanolBenzenemethanol, a-(aminomethyl)-3-(trifluoromethyl)-2-amino-1-(3-(trifluoromethyl)phenyl)ethanolMFCD01664407CHEMBL224618
Show more names
a-(aMinoMethyl)-3-(trifluoroMethyl)-α-(Aminomethyl)-3-(trifluoromethyl)benzyl alcoholBenzenemethanol, α-(aminomethyl)-3-(trifluoromethyl)-
2-hydroxy-2-(3-trifluoromethylphenyl)ethanamineBRN 2806670alpha-Aminomethyl-m-trifluoromethylbenzyl alcoholSCHEMBL166671SCHEMBL30753488BENZYL ALCOHOL, alpha-AMINOMETHYL-m-TRIFLUOROMETHYL-3-trifluoromethylphenylethanolamineRRBRWAPWPGAJMA-UHFFFAOYSA-O
Database identifiers
- CAS
21172-28-1- PubChem CID
- 30514
- DTXSID
DTXSID00943504- ChEMBL
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 141 °C · 141°C (rough estimate)
- Density
- 1.2243 · 1.2243 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2922190090 · 2922190090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,226mg/kg (226mg/kg),"International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.
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
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922190090
- Toxicity
- mouse,LD50,intraperitoneal,226mg/kg (226mg/kg),"International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers15 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
上海皓鸿生物医药科技有限公司
Related reactions
21 records
Compound notes
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