5-AMINOISATOICANHYDRIDE

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Names

[ CAS No. ]:
22048-71-1

[ Name ]:
5-AMINOISATOICANHYDRIDE

[Synonym ]:
[4-(1H-pyrrol-1-yl)phenyl]acetic acid
(p-(1-Pyrrolyl)phenyl)acetic acid
Benzeneacetic acid,4-(1H-pyrrol-1-yl)
acido 4-(pirrol-1-il)fenilacetico
ACETIC ACID,(p-(1-PYRROLYL)PHENYL)
4-(1-Pyrryl)phenylacetic acid
(4-Pyrrol-1-yl-phenyl)-acetic acid
p-(1-Pyrryl)-phenylessigsaeure
N-(4-carboxymethenephenyl)pyrrole
Acido 4-(1-pirril)fenilacetco [Italian]

Chemical & Physical Properties

[ Density]:
1.15g/cm3

[ Boiling Point ]:
372.7ºC at 760mmHg

[ Molecular Formula ]:
C12H11NO2

[ Molecular Weight ]:
201.22100

[ Flash Point ]:
179.2ºC

[ Exact Mass ]:
201.07900

[ PSA ]:
42.23000

[ LogP ]:
2.10440

[ Vapour Pressure ]:
3.24E-06mmHg at 25°C

[ Index of Refraction ]:
1.585

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ3855000
CHEMICAL NAME :
Acetic acid, (p-(1-pyrrolyl)phenyl)-
CAS REGISTRY NUMBER :
22048-71-1
BEILSTEIN REFERENCE NO. :
1620223
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H11-N-O2
MOLECULAR WEIGHT :
201.24
WISWESSER LINE NOTATION :
T5NJ AR D1VQ

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 :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,90,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,90,1983

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,5-Dimethoxytetrahydrofuran
  • (4-Aminophenyl)acetic acid
  • 1H-Pyrrole,1-(4-methylphenyl)-
  • Carbon dioxide

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%

Related Compounds

  • 5-AMINOISATOIC ANHYDRIDE
  • 5-Aminoisatoic anhydride
  • 4-AMINOISATOICANHYDRIDE
  • phthaloyl-l-glutamic anhydride
  • 5-Chloroisatonic anhydride
  • 5-Fluoroisatonic anhydride
  • 5-Chloroisatonic anhydride
  • 6-Chloro-N-(4-(2-(pyrrolidin-1-yl)thiazol-4-yl)phenyl)benzo[d]thiazol-2-amine
  • 1-[5-(Trifluoromethyl)pyridin-2-yl]ethane-1,2-diol
  • tert-butyl N-[3-(1-azido-2-hydroxyethyl)-4-hydroxyphenyl]carbamate
  • tert-butyl N-{5-[(2S)-2-aminopropyl]-2,3-dimethoxyphenyl}carbamate
  • (1S)-2-amino-1-(5-bromo-2-methoxypyridin-3-yl)ethan-1-ol
  • 1-(3-bromo-1-methyl-1H-indol-2-yl)cyclopropane-1-carbaldehyde
  • methyl (3R)-3-(5-bromo-2-fluorophenyl)-3-hydroxypropanoate
  • rel-(1R,5R)-6,6-Dimethyl-3-azabicyclo[3.2.0]heptane hydrochloride
  • 3-((6-Ethylbenzo[d]thiazol-2-yl)amino)-4-methylbenzoic acid
  • 5,7-Dichloro-8-iodo-2-(methylthio)pyrido[4,3-d]pyrimidin-4(3H)-one
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