CAS 199296-61-2 2-Fluoro-5-(trifluoromethyl)benzylamine (HCID 533839)

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Basic information

CAS: 199296-61-2
Standard SMILES: NCc1cc(C(F)(F)F)ccc1F
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
Molecular formula: C8H7F4N
Average molar mass: 193.14 g/mol
Monoisotopic mass: 193.0514621

Names & identifiers

Preferred name: 2-Fluoro-5-(trifluoromethyl)benzylamine
IUPAC: [2-fluoro-5-(trifluoromethyl)phenyl]methanamine
English name: 2-Fluoro-5-(trifluoromethyl)benzylamine
Molecular formula: C8H7F4N
Molecular weight: 193.14

Names & synonyms

2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2DTXSID20336439RefChem:87094DTXCID70287528671-099-1WIQWADYBGSRGCF-UHFFFAOYSA-N[2-Fluoro-5-(trifluoromethyl)phenyl]methanamine2-fluoro-5-(trifluoromethyl)benzyl amineMFCD00061162Benzenemethanamine, 2-fluoro-5-(trifluoromethyl)-(2-fluoro-5-(trifluoromethyl)phenyl)methanamine

Show more names

RARECHEM AL BW 06672-fluoro-5-(trifluoromethyl)benzyla2-Fluoro-5-(trifluoromethyl)benzylamine97%2-Fluoro-5-(trifluoromethyl)benzylamine 97%

[2-fluoro-5-(trifluoromethyl)phenyl]methylamine2-fluoro-5-trifluoromethylbenzylamine2-floro-5-(trifluoromethyl)benzylamine1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL6566SCHEMBL42905CK1111SBB091543

Database identifiers

CAS: 199296-61-2
PubChem CID: 533839
DTXSID: DTXSID20336439
EC Number

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: 175.9 · 175.9±35.0 °C(Predicted)
Density: 1.312 · 1.312±0.06 g/cm3(Predicted)
refractive index: 1.451 · 1.451
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.27 · 8.27±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
Sensitive: Air Sensitive
InChI: InChI=1S/C8H7F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
InChIKey: WIQWADYBGSRGCF-UHFFFAOYSA-N
SMILES: C1(CN)=CC(C(F)(F)F)=CC=C1F
CAS DataBase Reference: 199296 · 199296-61-2(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Fluoro-5-(trifluoromethyl)benzylamine(199296-61-2)
Symbol(GHS): 5 · GHS05
Signal word: Danger

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

ridadr: 2735
hs_code: 2921490090
risk_code: 34-25
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi,T
hazard_note: Corrosive/Store under nitrogen
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: 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: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a