1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

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Names

[ CAS No. ]:
54778-21-1

[ Name ]:
1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-

[Synonym ]:
2-Chloro-1-methyl-1,3-benzodiazole
2-Chloro-1-methyl-1H-benzoimidazole
1-methyl-2-chloroindole-3-carboxylic acid
1-methyl-2-chlorobenzimidazole
2-chloro-1-methyl-1H-benzimidazole
2-chloro-1-methyl-benzimidazole
1-methyl-2-chlorobenzoimidazole
2-Chlor-1-methylindol-3-carbonsaeure
1-methyl-2-chloro-1H-benzoimidazole
2-chloro-1-methyl-1H-indole-3-carboxylic acid
2-chloro-N-methylbenzimidazole
2-chloro-1-methyl-indole-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
407.7ºC at 760 mmHg

[ Molecular Formula ]:
C10H8ClNO2

[ Molecular Weight ]:
209.62900

[ Flash Point ]:
200.4ºC

[ Exact Mass ]:
209.02400

[ PSA ]:
42.23000

[ LogP ]:
2.52990

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5998501
CHEMICAL NAME :
1H-Indole-3-carboxylic acid, 2-chloro-1-methyl-
CAS REGISTRY NUMBER :
54778-21-1
BEILSTEIN REFERENCE NO. :
0476383
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H8-Cl-N-O2
MOLECULAR WEIGHT :
209.64

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 :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,1344,1977

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-CHLORO-1-METHYL-1H-INDOLE-3-CARBALDEHYDE
  • 2,3-Dihydro-1-methylindol-2-one
  • 2-Chloro-1H-indole-3-carbaldehyde

DownStream

  • 2-Chloro-1-methyl-1H-indole-3-carbonyl chloride
  • methyl 2-chloro-1-methylindole-3-carboxylate

Related Compounds

  • methyl 2-chloro-1-methylindole-3-carboxylate
  • 2-Chloro-1-phenyl-1H-indole-3-carboxylic acid
  • 1H-Indole-3-carboxylicacid, 2-chloro-1-hexyl-
  • 1H-Indole-3-carboxylicacid, 2-chloro-1-(2-methylpropyl)-
  • 2-Chloro-5-methoxy-1-methyl-1H-indole-3-carboxylic acid
  • 1-CHLOROACETYL-4-(3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL)PIPERAZINE
  • 2-Hydroxy-3-[4-(4-hydroxy-3,5-dinitrophenoxy)-3,5-diiodophenyl]propanoic acid
  • 2-(1-Bromo-2-oxopropyl)-5-(difluoromethoxy)mandelic acid
  • 2-(1-Bromo-2-oxopropyl)-5-chlorobenzoic acid
  • (3-Bromobicyclo[1.1.1]pentan-1-yl)pentafluoro-l6-sulfane
  • (4R,5S,6S,7R,9R,11Z,13Z,15R,16R)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]oxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
  • disodium;[3-[[(2R)-2,3-bis[[(E)-tetradec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-bis[[(E)-tetradec-9-enoyl]oxy]propyl] phosphate
  • 1-1(Z)-Octadecenyl-2-Arachidonoyl-sn-glycero-3-PE
  • L-Threonine (4-13C, 97%; 2,3-D2, 96-98%)
  • CID 171042860
  • L-Methionine-N-Fmoc (Methyl-13C, 99%)
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