2,3,4-Trifluorobenzylamine

HCID 2777042

Notes Reactions

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Basic information

CAS: 235088-67-2
Standard SMILES: NCc1ccc(F)c(F)c1F
InChIKey: YIWUAPISITUDBY-UHFFFAOYSA-N
Molecular formula: C7H6F3N
Average molar mass: 161.12 g/mol
Monoisotopic mass: 161.04523385

Names & identifiers

Preferred name: 2,3,4-Trifluorobenzylamine
IUPAC: (2,3,4-trifluorophenyl)methanamine
English name: 2,3,4-TRIFLUOROBENZYLAMINE
Molecular formula: C7H6F3N
Molecular weight: 161.12

Names & synonyms

235088-67-22,3,4-TrifluorobenzylamineDTXSID10380345RefChem:244024DTXCID50331371(2,3,4-trifluorophenyl)methanamineBenzenemethanamine, 2,3,4-trifluoro-2,3,4-trifluorobenzyl amineMFCD00236313(2,3,4-trifluorophenyl)methylamine2,3,4-Trifluorobenzenemethanamine1-(2,3,4-TRIFLUOROPHENYL)METHANAMINE

Show more names

RARECHEM AL BW 03012,3,4-Trifluorobenzylamine98%Benzenemethanamine, 2,3,4-trifluoro- (9CI)

SCHEMBL626760SCHEMBL626761SCHEMBL2974401YIWUAPISITUDBY-UHFFFAOYSA-NCK2432SBB028345AKOS009158830[(2,3,4-trifluorophenyl)methyl]amine

Database identifiers

CAS: 235088-67-2
PubChem CID: 2777042
DTXSID: DTXSID10380345
EC Number: 671-904-6

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: 131

Physicochemical properties

Melting point: 280 · 280-281℃
Boiling point: 179 ℃ · 179℃
Density: 1.32 · 1.320
Flash point: 71 ℃ · 71℃
storage temp.: 2 · 2-8°C(protect from light)
form: solid
Appearance: White to off-white Solid
Sensitive: Air Sensitive
InChI: 1S/C7H6F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2
InChIKey: YIWUAPISITUDBY-UHFFFAOYSA-N
SMILES: NCc1ccc(F)c(F)c1F
CAS DataBase Reference: 235088 · 235088-67-2(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
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: C,Xi
Risk Statements: 34 · 34
Safety Statements: 20 · 20-26-36/37/39-45
RIDADR: 2735 · UN2735
WGK Germany: 3 · WGK 3
Hazard Note: Irritant/Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.

Hazard information

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

Safety data

wgk: WGK 3
ridadr: UN2735
hs_code: 2921490090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant/Corrosive
safety_code: 20-26-36/37/39-45
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a