119-34-6 | 4-Amino-2-nitrophenol

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Benzene Compoundschevron_right

119-34-6

4-Amino-2-nitrophenol

Synonyms

4-AMINO-2-NITROPHENOL
119-34-6
Phenol, 4-amino-2-nitro-
Fourrine 57
4-Hydroxy-3-nitroaniline

Molecular Formula

C₆H₆N₂O₃

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science

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Additional details

description

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

Molecular Formula

C₆H₆N₂O₃

Iupac Name

4-amino-2-nitrophenol

Dtp Nci Cas Number

119-34-6

Canonical Smiles

C1=CC(=C(C=C1N)[N+](=O)[O-])O

StdInChi

InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2

StdInChiKey

WHODQVWERNSQEO-UHFFFAOYSA-N

Molecular Weight

154.12

Exact Mass

154.03784206

Average Mass

154.123 Da

Monoisotopic Mass

154.03784206

Boiling Point

334.5±27.0 °C at 760 mmHg

Experimental Boiling Point

334.5 °C

Experimental Melting Point

129 °C

Flash Point

156.1±23.7 °C

Density

1.5±0.1 g/cm³

Vapour Pressure

0.0±0.8 mmHg at 25°C

Enthalpy of Vaporization

60.0±3.0 kJ/mol

Refractive Index

1.689

Molar Refractivity

38.9±0.3 cm³

Polar Surface Area

92.1 Å²

Polarizability

15.4±0.5 10^-24cm³

Surface Tension

78.5±3.0 dyne/cm

Molar Volume

102.0±3.0 cm³

Experimental Logp

1.318

Acd LogP

0.64

Acd LogD Ph55

1.07

Acd Bcf Ph55

3.81

Acd Koc Ph55

90.29

Acd LogD Ph74

0.89

Acd Bcf Ph74

2.53

Acd Koc Ph74

59.97

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

156

Compound is Canonicalized

Yes

Irritant

Corrosives

Health Hazard

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

H318: Causes serious eye damage

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 1, Danger

H335: May cause respiratory irritation

Hazard Class

Specific target organ toxicity, single exposure
Respiratory tract irritation

Hazard Categories

Category 3, Warning

H341: Suspected of causing genetic defects

Hazard Class

Germ cell mutagenicity

Hazard Categories

Category 2, 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.
P203: Obtain, read and follow all safety instructions before use.
P281: (Obsolete)Use personal protective equipment as required.

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.
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.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P319: Get medical help if you feel unwell.
P318: if exposed or concerned, get medical advice.

Storage Statements

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

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