42779-84-0

42779-84-0 structure

42779-84-0 structure

Name: 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid
Chemical Name: 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid
CAS Number: 42779-84-0
Molecular Formula: C₁₅H₁₇NO₂
Molecular Weight: 243.30100
Create Date: 2017-06-01 14:35:31
Modify Date: 2024-04-02 12:50:02

Name	2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid
Synonyms	2,4-dimethyl-1-iodo-5-nitrobenzene

Density	1.1g/cm3
Boiling Point	415.5ºC at 760mmHg
Molecular Formula	C₁₅H₁₇NO₂
Molecular Weight	243.30100
Flash Point	205.1ºC
Exact Mass	243.12600
PSA	42.23000
LogP	3.02960
Index of Refraction	1.565

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9279240

CHEMICAL NAME :: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-methylphenyl)-

CAS REGISTRY NUMBER :: 42779-84-0

BEILSTEIN REFERENCE NO. :: 0479034

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H17-N-O2

MOLECULAR WEIGHT :: 243.33

WISWESSER LINE NOTATION :: T5NJ AR D1& B1 C1VQ E1

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 :: 2850 mg/kg

TOXIC EFFECTS :: Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,173,1976

HS Code	2933990090

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%