5-Chloroindole-2-carboxylic acid

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Names

[ CAS No. ]:
10517-21-2

[ Name ]:
5-Chloroindole-2-carboxylic acid

[Synonym ]:
1H-Indole-2-carboxylic acid, 5-chloro-
5-Chloro-1H-indole-2-carboxylic acid
5-Chloroindole-2-carboxylic acid
MFCD00005613
EINECS 234-050-1

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
449.7±25.0 °C at 760 mmHg

[ Melting Point ]:
287 °C (dec.)(lit.)

[ Molecular Formula ]:
C9H6ClNO2

[ Molecular Weight ]:
195.602

[ Flash Point ]:
225.8±23.2 °C

[ Exact Mass ]:
195.008713

[ PSA ]:
53.09000

[ LogP ]:
3.09

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.728

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL5998400
CHEMICAL NAME :
1H-Indole-2-carboxylic acid, 5-chloro-
CAS REGISTRY NUMBER :
10517-21-2
BEILSTEIN REFERENCE NO. :
0153229
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-Cl-N-O2
MOLECULAR WEIGHT :
195.61

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 :
550 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: 15,659,1972

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
NL5998400

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 5-chloro-1H-indole-2-carboxylate
  • 4-Chlorophenylhydrazine hydrochloride
  • 4-Chloroaniline
  • Propanoic acid, 2-[2-(4-chlorophenyl)hydrazinylidene]-, ethyl ester, (2E)
  • 4-chlorobenzenediazonium
  • Propanoic acid,2-[2-(4-chlorophenyl)hydrazinylidene]-, ethyl ester

DownStream

  • 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
  • 5-Chloroindole
  • Ethyl 5-chloro-1H-indole-2-carboxylate
  • 2-(5-Chloro-1H-indol-3-yl)ethanamine hydrochloride
  • JNJ-7777120
  • 5-chloro-1H-indole-2-carboxamide
  • 5-chloro-1H-indole-2-carbohydrazide
  • methyl 5-chloro-1H-indole-2-carboxylate
  • 5-Chloroindole-3-carboxaldehyde
  • 1-(5-Chloro-1H-indol-3-yl)ethanone

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%

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Related Compounds

  • 5-Chloroindole-2-carboxylic acid ethyl
  • 5-Chloroindole-2-carboxylic acid chloride
  • 5-Chloroindole-2-carboxylic acid methyl ester
  • 5-Chloroindole-2-carboxylic acid methyl ester
  • 3-bromo-5-chloroindole-2-carboxylic acid ethyl ester
  • 7-Amino-5-chloroindole-2-carboxylic acid ethyl ester