2-(Trifluoromethyl)benzylamine

HCID 76447

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Basic information

CAS: 3048-01-9
Standard SMILES: NCc1ccccc1C(F)(F)F
InChIKey: ZSKQIFWUTUZAGF-UHFFFAOYSA-N
Molecular formula: C8H8F3N
Average molar mass: 175.15 g/mol
Monoisotopic mass: 175.06088392

Names & identifiers

Preferred name: 2-(Trifluoromethyl)benzylamine
IUPAC: [2-(trifluoromethyl)phenyl]methanamine
English name: 2-(Trifluoromethyl)benzylamine
Molecular formula: C8H8F3N
Molecular weight: 175.15

Names & synonyms

2-(Trifluoromethyl)benzylamine3048-01-9DTXSID30184549EINECS 221-258-2RefChem:462553DTXCID20107040221-258-22-Trifluoromethylbenzylamine(2-(Trifluoromethyl)phenyl)methanamine[2-(Trifluoromethyl)phenyl]methanamineBenzenemethanamine, 2-(trifluoromethyl)-2-(Trifluoromethyl)benzyl amine

Show more names

2-(Trifluoromethyl)benzenemethanamineJACS-3048-1-9TIMTEC-BB SBB006694RARECHEM AL BW 01562-(Trifluoromethyl)b0-(Trifluoromethyl)benzylamine2-(Trifluoromethyl)benzylamlne

1-[2-(trifluoromethyl)phenyl]methanamineo-TrifluoromethylbenzylamineMFCD00010297o-trifluoromethylbenzyl amine[2-(trifluoromethyl)phenyl]methylamine2-(Aminomethyl)benzotrifluorideo-(trifluoromethyl)benzylamine2-trifluoromethylbenzyl amine

Database identifiers

CAS: 3048-01-9
PubChem CID: 76447
DTXSID: DTXSID30184549
ChEMBL: CHEMBL13126
EC Number: 221-258-2
Nikkaji: J205.354C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 108 · 108-110°C 64mm
Density: 1.249 g/mL · 1.249 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.471(lit.)
Flash point: 157 °F · 157 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Liquid
pka: 8.27 · 8.27±0.10(Predicted)
Specific Gravity: 1.249 · 1.249
color: Clear colorless to light yellow
Sensitive: Air Sensitive
BRN: 1103424 · 1103424
InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKey: ZSKQIFWUTUZAGF-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC=C1C(F)(F)F
CAS DataBase Reference: 3048 · 3048-01-9(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: C
Risk Statements: 22 · 22-34-52/53
Safety Statements: 26 · 26-36/37/39-45-61
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 2 · 2
F: 10 · 10-34
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214990 · 29214990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 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

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (85.4%)

Safety data

F: 10-34
wgk: 2
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 22-34-52/53
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-61
hazard_class: 8
packing_group: III
Hazard statements: H227-H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a