Phenanthridine

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Names

[ CAS No. ]:
229-87-8

[ Name ]:
Phenanthridine

[Synonym ]:
3,4-Benzoquinoline
Benzo[h]quinoline
9-Azaphenanthrene
MFCD00004989
PHENANTHRIDIN
EINECS 205-934-4
6-Phenanthridine
3,4-Benzoisoquinoline
5-azaphenanthrene
5-phenantridine
Benzo[c]quinoline
phenanthrridine
Phenanthridine 1GR
Phenanthridine
Phenantridine

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
350.4±11.0 °C at 760 mmHg

[ Melting Point ]:
104-107 °C(lit.)

[ Molecular Formula ]:
C₁₃H₉N

[ Molecular Weight ]:
179.217

[ Flash Point ]:
155.9±11.9 °C

[ Exact Mass ]:
179.073502

[ PSA ]:
12.89000

[ LogP ]:
3.32

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.727

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SF7928000

CHEMICAL NAME :: Phenanthridine

CAS REGISTRY NUMBER :: 229-87-8

BEILSTEIN REFERENCE NO. :: 0120204

LAST UPDATED :: 199710

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C13-H9-N

MOLECULAR WEIGHT :: 179.23

WISWESSER LINE NOTATION :: T B666 HNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 50 ug/plate

REFERENCE :: 50NNAZ "Polynuclear Aromatic Hydrocarbons, International Symposium, 7th, 1982," Cooke, M., and A.J. Dennis, eds., Columbus, OH, Battelle Press, 1983 Volume(issue)/page/year: 7,73,1983

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H318-H335

[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R40

[ Safety Phrases ]:
S26-S39

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SF7928000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-(2-bromophenyl)-3-Buten-2-one
(2-Aminophenyl)boronic acid
2-Bromobenzaldehyde
Formaldehyde
2-Aminodiphenyl
Phenanthridin-6(5H)-one
2'-nitro[1,1'-biphenyl]-2-carbaldehyde
2'-bromoacetanilide
2-benzothiazol-3-yl-N,N-diethyl-acetamide bromide

DownStream

Phenanthridine, 5-oxide
Triptycene
1-Hydroxytriptycene
6-(9,10-[1,2]benzenoanthracen-9(10H)-yl)phenanthridine
Adamantan-1-ol
6-(adamantan-1-yl)phenanthridine
9H FLUORENE
5,6,5',6'-tetrahydro-[6,6']biphenanthridinyl
Phenanthridin-6(5H)-one

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%

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Direct, catalytic, and regioselective synthesis of 2-alkyl-, aryl-, and alkenyl-substituted N-heterocycles from N-oxides.

Org. Lett. 16(3) , 864-7, (2014)

A one-step transformation of heterocyclic N-oxides to 2-alkyl-, aryl-, and alkenyl-substituted N-heterocycles is described. The success of this broad-scope methodology hinges on the combination of cop...

Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel.

J. Med. Chem. 53 , 7011-20, (2010)

The TRPA1 channel can be considered as a key biological sensor to irritant chemicals. In this paper, the discovery of 11H-dibenz[b,e]azepines (morphanthridines) and dibenz[b,f][1,4]oxazepines is descr...