3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

Names

[ CAS No. ]:
26180-28-9

[ Name ]:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

[Synonym ]:
Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
401.9±33.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₃H₁₃NO₂

[ Molecular Weight ]:
215.248

[ Flash Point ]:
196.9±25.4 °C

[ Exact Mass ]:
215.094635

[ PSA ]:
42.23000

[ LogP ]:
3.68

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.579

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG9096716

CHEMICAL NAME :: Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-

CAS REGISTRY NUMBER :: 26180-28-9

LAST UPDATED :: 199803

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H13-N-O2

MOLECULAR WEIGHT :: 215.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2054474

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%