Phenethylamine, m-trifluoromethyl-

HCID 104223
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Basic information

CAS
52516-30-0
Standard SMILES
NCCc1cccc(C(F)(F)F)c1
InChIKey
BPVYCXMGJPKOTQ-UHFFFAOYSA-N
Molecular formula
C9H10F3N
Average molar mass
189.18 g/mol
Monoisotopic mass
189.07653398

Names & identifiers

Preferred name
Phenethylamine, m-trifluoromethyl-
IUPAC
2-[3-(trifluoromethyl)phenyl]ethanamine
English name
3-(Trifluoromethyl)phenethylamine
Molecular formula
C9H10F3N
Molecular weight
189.18

Names & synonyms

52516-30-02-(3-trifluoromethylphenyl)ethylaminePhenethylamine, m-trifluoromethyl-m-(Trifluoromethyl)phenethylaminem-TrifluoromethylphenethylamineBRN 4398117EINECS 257-988-3DTXSID90200517RefChem:860590DTXCID20123008257-988-33-(trifluoromethyl)phenethylamine
Show more names
RARECHEM AL BW 0212m-trifluoromethyl-phenethylamin3-(2-AMINOETHYL)BENZOTRIFLUORIDE2-(3-Trifluoromethylphenyl)ethanamine2-(3-Trifluoromethylphenyl)rthylamine3-(Trifluoromethyl)phenethylamine ,98%
2-(3-(trifluoromethyl)phenyl)ethanamine2-[3-(trifluoromethyl)phenyl]ethanamineMFCD000407562-[3-(trifluoromethyl)phenyl]ethylamineBenzeneethanamine, 3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]ethan-1-amine3-(Trifluoromethyl)benzeneethanamine3-trifluoromethylphenethylamine

Database identifiers

CAS
52516-30-0
PubChem CID
104223
DTXSID
DTXSID90200517
ChEMBL
CHEMBL448523
UNII
49F5H9E5Y4
EC Number
257-988-3
Nikkaji
J79.063J

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
77 °C · 77 °C
Density
1.186 · 1.186
refractive index
1.4635 · 1.4635-1.4655
RTECS
2525000 · SI2525000
Flash point
81 ℃ · 81℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)

Safety data

ridadr
2735
hs_code
29214990
risk_code
34-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C

Chemistry & industry

Pharmacology

Metabolism/Metabolites2-(3-(Trifluoromethyl)phenyl)ethanamine is a known human metabolite of (s)-norfenfluramine.

Applications

Uses3-(TRIFLUOROMETHYL)PHENETHYLAMINE is an organic compound commonly used as an intermediate in the chemical synthesis of pharmaceuticals and pesticides.

Upstream & downstream products

Suppliers94 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

57 records
New reaction record

Compound notes

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