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

Modify Date: 2024-04-02 12:50:02

2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid Structure
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid structure
Common Name 2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid
CAS Number 42779-84-0 Molecular Weight 243.30100
Density 1.1g/cm3 Boiling Point 415.5ºC at 760mmHg
Molecular Formula C15H17NO2 Melting Point N/A
MSDS N/A Flash Point 205.1ºC

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2933990090

 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%

 Synonyms

2,4-dimethyl-1-iodo-5-nitrobenzene
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