8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Modify Date: 2025-08-27 08:49:05

8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole Structure
8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole structure
Common Name 8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CAS Number 5055-01-6 Molecular Weight 265.14900
Density 1.507g/cm3 Boiling Point 378.3ºC at 760mmHg
Molecular Formula C12H13BrN2 Melting Point N/A
MSDS N/A Flash Point 182.6ºC

 Names

Name 8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.507g/cm3
Boiling Point 378.3ºC at 760mmHg
Molecular Formula C12H13BrN2
Molecular Weight 265.14900
Flash Point 182.6ºC
Exact Mass 264.02600
PSA 19.03000
LogP 2.85620
Index of Refraction 1.682
InChIKey HFILMDDJKHXWEL-UHFFFAOYSA-N
SMILES CN1CCc2[nH]c3ccc(Br)cc3c2C1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV0430000
CHEMICAL NAME :
1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-8-bromo-2-methyl-
CAS REGISTRY NUMBER :
5055-01-6
BEILSTEIN REFERENCE NO. :
0169784
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-Br-N2
MOLECULAR WEIGHT :
265.18
WISWESSER LINE NOTATION :
T B656 DN HMT&&J D1 LE

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 :
370 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
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: 9,436,1966

 Safety Information

HS Code 2933990090

 Synthetic Route

~93%

8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole Structure

8-bromo-2-methy...

CAS#:5055-01-6

Literature: Kalin, Jay H.; Butler, Kyle V.; Akimova, Tatiana; Hancock, Wayne W.; Kozikowski, Alan P. Journal of Medicinal Chemistry, 2012 , vol. 55, # 2 p. 639 - 651

~%

8-bromo-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole Structure

8-bromo-2-methy...

CAS#:5055-01-6

Literature: Boekelheide; Ainsworth Journal of the American Chemical Society, 1950 , vol. 72, p. 2134,2137

 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

8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
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