5-Bromo-4-(trifluoromethyl)pyridin-2-amine

HCID 28875348

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Basic information

CAS: 944401-56-3
Standard SMILES: Nc1cc(C(F)(F)F)c(Br)cn1
InChIKey: AEWYLVDLWQPJGW-UHFFFAOYSA-N
Molecular formula: C6H4BrF3N2
Average molar mass: 241.01 g/mol
Monoisotopic mass: 239.95099489

Names & identifiers

Preferred name: 5-Bromo-4-(trifluoromethyl)pyridin-2-amine
IUPAC: 5-bromo-4-(trifluoromethyl)pyridin-2-amine
English name: 2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINE
Molecular formula: C6H4BrF3N2
Molecular weight: 241.01

Names & synonyms

944401-56-35-bromo-4-(trifluoromethyl)pyridin-2-amineDTXSID80651731RefChem:533631DTXCID40602481693-695-02-Amino-5-bromo-4-(trifluoromethyl)pyridineMFCD098648965-bromo-4-(trifluoromethyl)-2-pyridylamine2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINESCHEMBL857498SCHEMBL29528816

Show more names

5-BroMo-4-trifluoroMethyl-pyridin-2-ylaMine2-Amino-5-bromo-4-(trifL5-Bromo-2-amino-4-trifluoromethylpyridine5-Bromo-4-(trifluoromethyl)-2-pyridinamine2-Amino-4-(trifluoromethyl)-5-bromopyridine2-Pyridinamine, 5-bromo-4-(trifluoromethyl)-2-Amino-5-bromo-4-(trifluoromethyl)pyridine,95%2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab)

CS-M0294FD2103SBB051921AKOS005063346EG-0018SB18622SY0134352-amino-4-trifluoromethyl-5-bromopyridine

Database identifiers

CAS: 944401-56-3
PubChem CID: 28875348
DTXSID: DTXSID80651731
EC Number: 693-695-0

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 71 · 71-74℃
Boiling point: 243.9 · 243.9±40.0 °C(Predicted)
Density: 1.79 · 1.790±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Methanol
form: Solid
pka: 2.44 · 2.44±0.24(Predicted)
color: Pale yellow to orange
InChI: InChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKey: AEWYLVDLWQPJGW-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C(C(F)(F)F)=C1
CAS DataBase Reference: 944401 · 944401-56-3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-36-22
Safety Statements: 22 · 22-24/25-26-36/37/39
WGK Germany: 1 · 1
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.