28080-54-8 | 2-Iodo-5-nitropyridine

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28080-54-8

2-Iodo-5-nitropyridine

Synonyms

2-Iodo-5-nitropyridine
28080-54-8
6-Iodo-3-nitropyridine
5-nitro-2-iodopyridine
2-iodanyl-5-nitro-pyridine

Molecular Formula

C₅H₃IN₂O₂

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science

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Additional details

description

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

Molecular Formula

C₅H₃IN₂O₂

Iupac Name

2-iodo-5-nitropyridine

Canonical Smiles

C1=CC(=NC=C1[N+](=O)[O-])I

StdInChi

InChI=1S/C5H3IN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H

StdInChiKey

SJXWHBQWFBHASX-UHFFFAOYSA-N

Molecular Weight

249.99

Exact Mass

249.92392

Average Mass

249.994 Da

Monoisotopic Mass

249.92392

Boiling Point

309.9±27.0 °C at 760 mmHg

Experimental Boiling Point

309.8 °C

Experimental Melting Point

163-168 °C

Flash Point

141.2±23.7 °C

Density

2.1±0.1 g/cm³

Vapour Pressure

0.0±0.6 mmHg at 25°C

Enthalpy of Vaporization

52.9±3.0 kJ/mol

Refractive Index

1.675

Molar Refractivity

43.8±0.3 cm³

Polar Surface Area

58.7 Å²

Polarizability

17.4±0.5 10^-24cm³

Surface Tension

66.2±3.0 dyne/cm

Molar Volume

116.6±3.0 cm³

Experimental Logp

1.199

Acd LogP

1.65

Acd LogD Ph55

1.74

Acd Bcf Ph55

12.29

Acd Koc Ph55

209.69

Acd LogD Ph74

1.74

Acd Bcf Ph74

12.29

Acd Koc Ph74

209.69

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

136

Compound is Canonicalized

Yes

Irritant

Corrosives

Hazard Statements

H302: Harmful if swallowed

Hazard Class

Acute toxicity, oral

Hazard Categories

Category 4, Warning

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

H318: Causes serious eye damage

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 1, Danger

H319: Causes serious eye irritation

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 2A, Warning

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.
P270: Do not eat, drink or smoke when using this product.
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.
P271: Use only outdoors or in a well-ventilated area.

Response Statements

P301+P317: IF SWALLOWED: Get medical help.
P330: Rinse mouth.
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+P354+P338: IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
P317: Get emergency medical help.
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.
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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