9-Methyl-9H-fluorene-9-carboxylic acid

HCID 3587802

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Basic information

CAS: 3300-17-2
Standard SMILES: CC1(C(=O)O)c2ccccc2-c2ccccc21
InChIKey: PUPWRKQSVGUBQS-UHFFFAOYSA-N
Molecular formula: C15H12O2
Average molar mass: 224.25 g/mol
Monoisotopic mass: 224.08372962

Names & identifiers

Preferred name: 9-Methyl-9H-fluorene-9-carboxylic acid
IUPAC: 9-methylfluorene-9-carboxylic acid
English name: 9-METHYL-9H-FLUORENE-9-CARBOXYLIC ACID
Molecular formula: C15H12O2
Molecular weight: 224.25

Names & synonyms

9-METHYL-9H-FLUORENE-9-CARBOXYLIC ACIDRefChem:5494673300-17-29-methylfluorene-9-carboxylic AcidMFCD00114671[13C]-9-Methylfluorene-9-carboxylic acid9-METHYL-9H-FLUORENE-9-CARBOXYLICACIDSCHEMBL393095SCHEMBL4636505DTXSID50393919PUPWRKQSVGUBQS-UHFFFAOYSA-NDAA30017

Show more names

2-methylthiazole-12-carboxylic acidOxirane, 2-[11-(phenylMethoxy)ethyl]-9H-Fluorene-9-carboxylic acid, 9-methyl-9-methyl-9H-fluorene-9-carboxylic acid(SALTDATA: FREE)

STL193399XH0453AKOS015950332BS-37840SY319009DB-086768CS-02793509-Methylfluorene-9-carboxylic acid, AldrichCPR

Database identifiers

CAS: 3300-17-2
PubChem CID: 3587802
DTXSID: DTXSID50393919
EC Number: 803-432-5
Nikkaji: J2.644.084J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 301

Physicochemical properties

Melting point: 166 °C · 166 °C
Boiling point: 315.2 · 315.2±9.0 °C(Predicted)
Density: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.66 · 4.66±0.20(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 273 · P273-P301+P312+P330
Hazard Codes: Xn
Risk Statements: 22 · 22-52
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.