86-38-4 | 6,9-Dichloro-2-methoxyacridine

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86-38-4

6,9-Dichloro-2-methoxyacridine

Synonyms

6,9-Dichloro-2-methoxyacridine
86-38-4
3,9-Dichloro-7-methoxyacridine
Halocrin
Halocrine

Molecular Formula

C₁₄H₉Cl₂NO

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science

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Additional details

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula

C₁₄H₉Cl₂NO

Iupac Name

6,9-dichloro-2-methoxyacridine

Dtp Nci Cas Number

86-38-4

Canonical Smiles

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl

StdInChi

InChI=1S/C14H9Cl2NO/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3

StdInChiKey

RYRNQWYNHLLOGX-UHFFFAOYSA-N

Appearance

Not Available

Molecular Weight

278.1

Exact Mass

277.0061193

Average Mass

278.133 Da

Monoisotopic Mass

277.0061193

Boiling Point

444.3±25.0 °C at 760 mmHg

Experimental Melting Point

163-165 °C

Flash Point

222.5±23.2 °C

Density

1.4±0.1 g/cm³

Vapour Pressure

0.0±1.0 mmHg at 25°C

Enthalpy of Vaporization

67.5±3.0 kJ/mol

Refractive Index

1.696

Molar Refractivity

76.5±0.3 cm³

Polar Surface Area

22.1 Å²

Polarizability

30.3±0.5 10^-24cm³

Surface Tension

53.4±3.0 dyne/cm

Molar Volume

198.8±3.0 cm³

Experimental Logp

2.355

xLogP3AA

4.8

Acd LogP

4.94

Acd LogD Ph55

5.15

Acd Bcf Ph55

4832.03

Acd Koc Ph55

15077.09

Acd LogD Ph74

5.15

Acd Bcf Ph74

4846.55

Acd Koc Ph74

15122.40

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Heavy Atom Count

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently Bonded Unit Count

H Bond Acceptors

H Bond Donors

Freely Rotating Bonds

Rule of 5 Violations

Formal Charge

Complexity

302

Compound is Canonicalized

Yes

Irritant

Health Hazard

Hazard Statements

H315: Causes skin irritation

Hazard Class

Skin corrosion/irritation

Hazard Categories

Category 2, Warning

H317: May cause an allergic skin reaction

Hazard Class

Sensitization, Skin

Hazard Categories

Category 1, 1A, 1B, Warning

H319: Causes serious eye irritation

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 2A, Warning

H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled

Hazard Class

Sensitization, respiratory

Hazard Categories

Category 1, 1A, 1B, Danger

H335: May cause respiratory irritation

Hazard Class

Specific target organ toxicity, single exposure
Respiratory tract irritation

Hazard Categories

Category 3, Warning

Precautionary Statements

General Statements

P101: If medical advice is needed, have product container or label at hand.
P102: Keep out of reach of children.
P103: Read carefully and follow all instructions.

Disposal Statements

P501: Dispose of contents/container to ...

Prevention Statements

P264: Wash hands [and …] thoroughly after handling.
P280: Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P272: Contaminated work clothing should not be allowed out of the workplace.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P284: [In case of inadequate ventilation] Wear respiratory protection.
P271: Use only outdoors or in a well-ventilated area.

Response Statements

P302+P352: IF ON SKIN: wash with plenty of water/...
P321: Specific treatment (see ... on this label).
P332+P317: If skin irritation occurs: Get medical help.
P362+P364: Take off contaminated clothing and wash it before reuse.
P333+P313: (Obsolete) IF SKIN irritation or rash occurs: Get medical advice/attention.
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+P317: If eye irritation persists: Get medical help.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P342+P316: If experiencing respiratory symptoms: Get emergence medical help immediately.
P319: Get medical help if you feel unwell.

Storage Statements

P403+P233: Store in a well-ventilated place. Keep container tightly closed.
P405: Store locked up.

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