CAS 239135-49-0 2-Fluoro-3-trifluoromethylbenzylamine (HCID 2737565)

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Basic information

CAS: 239135-49-0
Standard SMILES: NCc1cccc(C(F)(F)F)c1F
InChIKey: PQUYJDPJHOSOTN-UHFFFAOYSA-N
Molecular formula: C8H7F4N
Average molar mass: 193.14 g/mol
Monoisotopic mass: 193.05146188

Names & identifiers

Preferred name: 2-Fluoro-3-trifluoromethylbenzylamine
IUPAC: [2-fluoro-3-(trifluoromethyl)phenyl]methanamine
English name: 2-Fluoro-3-(trifluoromethyl)benzylamine
Molecular formula: C8H7F4N
Molecular weight: 193.14

Names & synonyms

239135-49-02-fluoro-3-trifluoromethylbenzylamineDTXSID30372146RefChem:260892DTXCID903231792-Fluoro-3-(trifluoromethyl)benzylamine(2-fluoro-3-(trifluoromethyl)phenyl)methanamine[2-fluoro-3-(trifluoromethyl)phenyl]methanamineMFCD00061161[2-fluoro-3-(trifluoromethyl)phenyl]methylamineBenzenemethanamine, 2-fluoro-3-(trifluoromethyl)-1-[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]METHANAMINE

Show more names

RARECHEM AL BW 05372-Fluoro-3-trifluoromethylbenzylami2-Fluoro-3-(trifluoromethyl)benzylamine97%2-Fluoro-3-(trifluoromethyl)benzylamine 97%

SCHEMBL41932SCHEMBL41933CL8678SBB091541AKOS005256288CS-W010694FF85119PS-8319

Database identifiers

CAS: 239135-49-0
PubChem CID: 2737565
DTXSID: DTXSID30372146

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 193 °C · 193°C
Density: 1 · 1,321 g/cm3
refractive index: 1.4548 · 1.4548
Flash point: 83 °C · 83°C
storage temp.: Store under nitrogen
pka: 8.27 · 8.27±0.10(Predicted)
form: liquid
color: Colourless
Water Solubility: Not miscible or difficult to mix in water.
Sensitive: Air Sensitive
CAS DataBase Reference: 239135 · 239135-49-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H314-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a · P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2 (20%)；STOT SE 3 (20%)

Safety data

ridadr: 2735
hs_code: 2921490090
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive/Store under nitrogen
safety_code: 26-36/37/39-45-36
hazard_class: 8

Chemistry & industry

Applications

Uses2-Fluoro-3-(trifluoromethyl)benzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.