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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Syntheses Material Intermediates  /  Laboratory Chemicals
9-METHYLACRIDINE structure
9-METHYLACRIDINE structure

9-METHYLACRIDINE

Iupac Name:9-methylacridine
CAS No.: 611-64-3
Molecular Weight:193.249
Modify Date.: 2022-11-10 06:17
Introduction: 9-Methylacridine is an derivative of Acridine (A190900), a quinoline derivative used as manufacturing dyes and as an intermediate for the synthesis of antileishmanial agents. View more+
1. Names and Identifiers
1.1 Name
9-METHYLACRIDINE
1.2 Synonyms

5-Methylacridine 9-Methylacridin 9-methyl-acridin 9-Methylakridin Acridine, 9-methyl- Carbamazepine Impurity 2 NSC 1234

1.3 CAS No.
611-64-3
1.4 CID
11913
1.5 EINECS(EC#)
210-272-4
1.6 Molecular Formula
C14H11N (isomer)
1.7 Inchi
InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
1.8 InChkey
FLDRLXJNISEWNZ-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=C2C=CC=CC2=NC3=CC=CC=C13
1.10 Isomers Smiles
CC1=C2C=CC=CC2=NC3=CC=CC=C13
2. Properties
3.1 Density
1.155
3.1 Melting point
114-119 °C
3.1 Boiling point
361.9°C at 760 mmHg
3.1 Refractive index
1.703
3.1 Flash Point
160°C
3.1 Precise Quality
193.08900
3.1 PSA
12.89000
3.1 logP
3.69640
3.1 Solubility
几乎不溶 (0.039 g/L) (25 oC),
3.2 Appearance
Yellow crystalline powder
3.3 Storage
Ambient temperatures.
3.4 Chemical Properties
Yellow crystalline powder
3.5 Color/Form
Clear colorless
3.6 pKa
6.68±0.10(Predicted)
3. Use and Manufacturing
4.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 29 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H315 (96.55%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (96.55%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (93.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
4.2 Usage
9-Methylacridine is an derivative of Acridine (A190900), a quinoline derivative used as manufacturing dyes and as an intermediate for the synthesis of antileishmanial agents.
4. Safety and Handling
5.1 Hazard Codes
Xn; Xi
5.1 Risk Statements
R68
5.1 Safety Statements
S26;S45;S36;S37;S39;S37;S39
5.1 RTECS
AR9440000
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight: 193.249g/mol
  • Molecular Formula: C14H11N
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.9
  • Exact Mass: 193.089149355
  • Monoisotopic Mass: 193.089149355
  • Complexity: 203
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 12.9
  • Heavy Atom Count: 15
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAAAAAADAiBHgAywPIIEACgAyRiRACCgCAhAiAImCAwZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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11. Realated Product Infomation