6-(Trifluoromethyl)nicotinohydrazide

HCID 2777553

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Basic information

CAS: 386715-32-8
Standard SMILES: NNC(=O)c1ccc(C(F)(F)F)nc1
InChIKey: BZUUTXAGAJENNS-UHFFFAOYSA-N
Molecular formula: C7H6F3N3O
Average molar mass: 205.14 g/mol
Monoisotopic mass: 205.04629647

Names & identifiers

Preferred name: 6-(Trifluoromethyl)nicotinohydrazide
IUPAC: 6-(trifluoromethyl)pyridine-3-carbohydrazide
English name: 6-(TRIFLUOROMETHYL)NICOTINOHYDRAZIDE
Molecular formula: C7H6F3N3O
Molecular weight: 205.14

Names & synonyms

386715-32-86-(trifluoromethyl)nicotinohydrazideDTXSID90380560RefChem:306984DTXCID80331586942-839-36-(Trifluoromethyl)nicotinic acid hydrazide6-(trifluoromethyl)pyridine-3-carbohydrazideMFCD018626512-(trifluoromethyl)pyridine-5-carboxylic acid hydrazide6-(Trifluoromethyl)nicotinic hydrazide6-(trifluoromethyl)-3-pyridinecarbohydrazide

Show more names

6-(Trifluoromethyl)-3-pyridinecarboxylic acid hydrazide2-(Trifluoromethyl)pyridine-5-carboxylic acid hydrazide 95+%3-Pyridinecarboxylicacid,6-(trifluoromethyl)-,hydrazide(9CI)

SCHEMBL22247853-pyridinecarboxylic acid, 6-(trifluoromethyl)-, hydrazideAC6049SBB093441AKOS005063987EA-0881MB021396-(Trifluoromethyl)nicotinicacidhydrazide

Database identifiers

CAS: 386715-32-8
PubChem CID: 2777553
DTXSID: DTXSID90380560
EC Number: 671-270-0、942-839-3

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 68 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Physicochemical properties

Melting point: 128 · 128-131°
Density: 1.427 · 1.427
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.68 · 10.68±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]