56057-19-3 | 2-Chloro-6-methyl-3-nitropyridine

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56057-19-3

2-Chloro-6-methyl-3-nitropyridine

Synonyms

56057-19-3
2-chloro-6-methyl-3-nitropyridine
2-Chloro-3-nitro-6-methylpyridine
6-Chloro-5-nitro-2-picoline
2-Chloro-3-nitro-6-picoline

Molecular Formula

C₆H₅ClN₂O₂

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science

Identifying information of the product such as name, CAS number, structure or description

Additional details

description

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

Molecular Formula

C₆H₅ClN₂O₂

Iupac Name

2-chloro-6-methyl-3-nitropyridine

Canonical Smiles

CC1=NC(=C(C=C1)[N+](=O)[O-])Cl

StdInChi

InChI=1S/C6H5ClN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3

StdInChiKey

UIEVSGOVFXWCIK-UHFFFAOYSA-N

Appearance

yellow powder

Molecular Weight

172.57

Exact Mass

172.0039551

Average Mass

172.569 Da

Monoisotopic Mass

172.0039551

Boiling Point

255.9±35.0 °C at 760 mmHg

Experimental Boiling Point

255 °C

Experimental Melting Point

55 °C

Flash Point

108.5±25.9 °C

Density

1.4±0.1 g/cm³

Vapour Pressure

0.0±0.5 mmHg at 25°C

Enthalpy of Vaporization

47.3±3.0 kJ/mol

Refractive Index

1.576

Molar Refractivity

40.6±0.3 cm³

Polar Surface Area

58.7 Å²

Polarizability

16.1±0.5 10^-24cm³

Surface Tension

52.5±3.0 dyne/cm

Molar Volume

122.7±3.0 cm³

Experimental Logp

1.303

xLogP3AA

Acd LogP

1.75

Acd LogD Ph55

1.68

Acd Bcf Ph55

11.17

Acd Koc Ph55

195.86

Acd LogD Ph74

1.68

Acd Bcf Ph74

11.17

Acd Koc Ph74

195.86

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

159

Compound is Canonicalized

Yes

Acute Toxicity

Irritant

Hazard Statements

H301: Toxic if swallowed

Hazard Class

Acute toxicity, oral

Hazard Categories

Category 3, Danger

H302: Harmful if swallowed

Hazard Class

Acute toxicity, oral

Hazard Categories

Category 4, Warning

H311: Toxic in contact with skin

Hazard Class

Acute toxicity, dermal

Hazard Categories

Category 3, Danger

H312: Harmful in contact with skin

Hazard Class

Acute toxicity, dermal

Hazard Categories

Category 4, Warning

H315: Causes skin irritation

Hazard Class

Skin corrosion/irritation

Hazard Categories

Category 2, Warning

H319: Causes serious eye irritation

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 2A, Warning

H331: Toxic if inhaled

Hazard Class

Acute toxicity, inhalation

Hazard Categories

Category 3, Danger

H332: Harmful if inhaled

Hazard Class

Acute toxicity, inhalation

Hazard Categories

Category 4, 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/...
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P271: Use only outdoors or in a well-ventilated area.

Response Statements

P301+P316: IF SWALLOWED: Get emergency medical help immediately.
P321: Specific treatment (see ... on this label).
P330: Rinse mouth.
P301+P317: IF SWALLOWED: Get medical help.
P302+P352: IF ON SKIN: wash with plenty of water/...
P316: Get emergency medical help immediately.
P361+P364: Take off immediately all contaminated clothing and wash it before reuse.
P317: Get emergency medical help.
P362+P364: Take off contaminated clothing and wash it before reuse.
P332+P317: If skin irritation occurs: Get 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

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

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