3-Chloro-6-nitro-1H-indazole

Modify Date: 2024-01-09 20:16:05

3-Chloro-6-nitro-1H-indazole Structure
3-Chloro-6-nitro-1H-indazole structure
 Common Name 3-Chloro-6-nitro-1H-indazole
CAS Number 50593-68-5 Molecular Weight 197.579
Density 1.7±0.1 g/cm3 Boiling Point 415.2±25.0 °C at 760 mmHg
Molecular Formula C7H4ClN3O2 Melting Point 203-205ºC
MSDS N/A Flash Point 204.9±23.2 °C

 Names

Name 3-Chloro-6-nitro-1H-indazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 415.2±25.0 °C at 760 mmHg
Melting Point 203-205ºC
Molecular Formula C7H4ClN3O2
Molecular Weight 197.579
Flash Point 204.9±23.2 °C
Exact Mass 196.999207
PSA 74.50000
LogP 2.95
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.742

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK7900000
CHEMICAL NAME :
1H-Indazole, 3-chloro-6-nitro-
CAS REGISTRY NUMBER :
50593-68-5
BEILSTEIN REFERENCE NO. :
0013651
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H4-Cl-N3-O2
MOLECULAR WEIGHT :
197.59
WISWESSER LINE NOTATION :
T56 BMNJ DG HNW

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 :
2200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 42,379,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02166

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

6-Nitroindazole structure

6-Nitroindazole

CAS#:7597-18-4

~92%

3-Chloro-6-nitro-1H-indazole Structure

3-Chloro-6-nitr...

CAS#:50593-68-5
Literature: Souers, Andrew J.; Collins, Christine A.; Gao, Ju; Judd, Andrew S.; Kym, Philip R.; Mulhern, Mathew M.; Sham, Hing L.; Wodka, Dariusz Patent: US2005/277638 A1, 2005 ; Location in patent: Page/Page column 49 ; US 20050277638 A1
5-Nitro-1H-indazole structure

5-Nitro-1H-indazole

CAS#:5401-94-5

~94%

3-Chloro-6-nitro-1H-indazole Structure

3-Chloro-6-nitr...

CAS#:50593-68-5
Literature: Souers, Andrew J.; Collins, Christine A.; Gao, Ju; Judd, Andrew S.; Kym, Philip R.; Mulhern, Mathew M.; Sham, Hing L.; Vasudevan, Anil; Wodka, Dariusz Patent: US2005/137243 A1, 2005 ; Location in patent: Page/Page column 48 ; US 20050137243 A1
2-Chloroisoindoline-1,3-dione structure

2-Chloroisoindo...

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6-Nitroindazole structure

6-Nitroindazole

CAS#:7597-18-4

~87%

3-Chloro-6-nitro-1H-indazole Structure

3-Chloro-6-nitr...

CAS#:50593-68-5
Literature: Stein, Philip D.; O'Connor, Stephen P.; Shi, Yan; Li, Chi Patent: US2002/25957 A1, 2002 ;
3-chloro-1-methyl-6-nitro-1H-indazole structure

3-chloro-1-meth...

CAS#:74209-31-7

~29%

3-Chloro-6-nitro-1H-indazole Structure

3-Chloro-6-nitr...

CAS#:50593-68-5
Literature: Bouchet, P.; Lazaro, R.; Benchidmi, M.; Elguero, J. Tetrahedron, 1980 , vol. 36, p. 3523 - 3534
6-Nitro-1,2-dihydro-3H-indazol-3-one structure

6-Nitro-1,2-dih...

CAS#:7364-33-2

~%

3-Chloro-6-nitro-1H-indazole Structure

3-Chloro-6-nitr...

CAS#:50593-68-5
Literature: Davies Journal of the Chemical Society, 1955 , p. 2412,2419

 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

EINECS 256-631-9
3-chloro-6-nitro-2H-indazole
MFCD00010741
1H-Indazole, 3-chloro-6-nitro-
3-Chloro-6-nitro-1H-indazole
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