3,4,5-Trifluorobenzylamine

HCID 2777048

Notes Reactions

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Basic information

CAS: 235088-69-4
Standard SMILES: NCc1cc(F)c(F)c(F)c1
InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N
Molecular formula: C7H6F3N
Average molar mass: 161.12 g/mol
Monoisotopic mass: 161.04523385

Names & identifiers

Preferred name: 3,4,5-Trifluorobenzylamine
IUPAC: (3,4,5-trifluorophenyl)methanamine
English name: 3,4,5-Trifluorobenzylamine
Molecular formula: C7H6F3N
Molecular weight: 161.12

Names & synonyms

3,4,5-Trifluorobenzylamine235088-69-4DTXSID50380349RefChem:485710DTXCID90331375671-907-2(3,4,5-trifluorophenyl)methanamine3,4,5-trifluorobenzyl amine(3,4,5-trifluorophenyl)methylamineMFCD00236318Benzenemethanamine, 3,4,5-trifluoro-1-(3,4,5-trifluorophenyl)methanamine

Show more names

RARECHEM AL BW 07013,4,5-TrifluorobenzyTrifluorobenzylamine 345-3,4,5-Trifluorobenzylamine98%3,4,5-Trifluorobenzylamine 98%3,4,5-Trifluorobenzylamine,97%3,4,5-trifluorobenzyl aMine*HCl3,4,5-Trifluorobenzenemethanamine

SCHEMBL1764604CK2434EN300-1611701SCHEMBL2089011BDBM626031SBB087498AKOS009157406CS-W014325

Database identifiers

CAS: 235088-69-4
PubChem CID: 2777048
DTXSID: DTXSID50380349
EC Number: 671-907-2
Nikkaji: J2.262.037A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Boiling point: 176.3 · 176.3±35.0 °C(Predicted)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
refractive index: 1.4736 · 1.4736
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.49 · 8.49±0.10(Predicted)
form: liquid
color: Clear, colourless
Sensitive: Air Sensitive
InChI: 1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N
SMILES: NCc1cc(F)c(F)c(F)c1
CAS DataBase Reference: 235088 · 235088-69-4(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
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
Hazard Codes: Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · 2735
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk: WGK 3
ridadr: 2735
hs_code: 2921490090
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS05
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a