CAS 23984-82-9 2-Methyl-4-(trifluoromethyl)benzoic acid (HCID 22211658)

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Basic information

CAS: 23984-82-9
Standard SMILES: Cc1cc(C(F)(F)F)ccc1C(=O)O
InChIKey: VGRSPVWAKZZUFU-UHFFFAOYSA-N
Molecular formula: C9H7F3O2
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.03981412

Names & identifiers

Preferred name: 2-Methyl-4-(trifluoromethyl)benzoic acid
IUPAC: 2-methyl-4-(trifluoromethyl)benzoic acid
English name: 2-Methyl-4-(trifluoromethyl)benzoic acid
Molecular formula: C9H7F3O2
Molecular weight: 204.15

Names & synonyms

2-METHYL-4-(TRIFLUOROMETHYL)BENZOIC ACID23984-82-9DTXSID40623419RefChem:263404DTXCID80574173818-550-22-Methyl-4-trifluoromethylbenzoic acidMFCD13185720Benzoic acid, 2-methyl-4-(trifluoromethyl)-SCHEMBL424990VGRSPVWAKZZUFU-UHFFFAOYSA-NAKOS026672071

Show more names

2-methyl-4-trifluoromethyl benzoic acid2-Methyl-4-trifluoromethyl-benzoic acidAS-43931SY067966CS-01941932-METHYL-4-(TRIFLUOROMETHYL)BENZOICACIDEN300-108908F631748

Database identifiers

CAS: 23984-82-9
PubChem CID: 22211658
DTXSID: DTXSID40623419
EC Number: 818-550-2

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Boiling point: 251.7 · 251.7±40.0 °C(Predicted)
Density: 1.345 · 1.345±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: solid
pka: 3.24 · 3.24±0.25(Predicted)
color: Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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