CAS 913839-73-3 2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid (HCID 51695709)

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Basic information

CAS: 913839-73-3
Standard SMILES: O=C(O)Cc1ccc(C(F)(F)F)nc1
InChIKey: GONSDVSNRVDRPU-UHFFFAOYSA-N
Molecular formula: C8H6F3NO2
Average molar mass: 205.13 g/mol
Monoisotopic mass: 205.03506292

Names & identifiers

Preferred name: 2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid
IUPAC: 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
English name: (6-Trifluoromethyl-pyridin-3-yl)-acetic acid
Molecular formula: C8H6F3NO2
Molecular weight: 205.13

Names & synonyms

913839-73-32-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid2-[6-(trifluoromethyl)pyridin-3-yl]acetic acidRefChem:459093815-939-9(6-TRIFLUOROMETHYL-PYRIDIN-3-YL)-ACETIC ACIDMFCD099249852-(TRIFLUOROMETHYL)PYRIDINE-5-ACETIC ACID3-Pyridineacetic acid, 6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]acetic acid6-(TRIFLUOROMETHYL)-3-PYRIDINEACETIC ACIDSCHEMBL263863

Show more names

2-[6-(Trifluoromethyl)-3-pyridyl]acetic Acid2-[6-(Trifluoromethyl)pyridin-3-yl]acetic acid 95+%

SCHEMBL300255632-(6-(TRIFLUOROMETHYL)(PYRIDIN-3-YL))ACETIC ACIDAKOS015966393AB55209DS-18035SY113221(6-trifluoromethylpyridin-3-yl)acetic acid(6-TrifluoroMethyl-pyridin-3-yl)-acetic aci

Database identifiers

CAS: 913839-73-3
PubChem CID: 51695709
EC Number: 815-939-9

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 282.6 · 282.6±35.0 °C(Predicted)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 3.75 · 3.75±0.10(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P