2-Cyanophenol
- Iupac Name：2-hydroxybenzonitrile
- CAS No.: 611-20-1
- Molecular Weight：119.1207
- Modify Date.: 2022-11-29 07:41
- Introduction:
white to light yellow crystal powder
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1. Names and Identifiers
- 1.1 Name
- 2-Cyanophenol
- 1.2 Synonyms
2-Cyanophenol 2-Cyanophenol SynonyMs: 2-Hydroxybenzonitrile 2-CYANOPHENOL (2-HYDROXYBENZONITRILE) 2-Hydroxybenzonitrile Benzonitrile, 2-hydroxy- NSC 53558 O-CYANOPHENOL O-hydroxybanzo nitrile O-HYDROXYBENZONITRILE SALICYLIC ACID NITRILE Salicylnitrile SALICYLONITRILE
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- 1.3 CAS No.
- 611-20-1
- 1.4 CID
- 11907
- 1.5 EINECS(EC#)
- 210-259-3
- 1.6 Molecular Formula
- C7H5NO (isomer)
- 1.7 Inchi
- InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
- 1.8 InChIkey
- CHZCERSEMVWNHL-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C(=C1)C#N)O
- 1.10 Isomers Smiles
- C1=CC=C(C(=C1)C#N)O
2. Properties
- 2.1 Density
- 1.1052 (99.6 C)
- 2.1 Melting point
- 95-98℃
- 2.1 Boiling point
- 149℃ (14 mmHg)
- 2.1 Refractive index
- 1.5372 (100 C)
- 2.1 Flash Point
- 149°C/14mm
- 2.1 Precise Quality
- 119.03700
- 2.1 PSA
- 44.02000
- 2.1 logP
- 1.26388
- 2.1 Appearance
- off-white to light brown powder
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- white to light yellow crystal powder 2-Cyanophenol Preparation Products And Raw materials Raw materials
- 2.4 Color/Form
- Off-white to brown
- 2.5 pKa
- 6.86(at 25℃)
- 2.6 Water Solubility
- soluble
- 2.7 Stability
- Stable. Incompatible with strong oxidizing agents, strong bases.
- 2.8 StorageTemp
- Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Risk Statements
- R22;R36/37/38
- 3.1 Safety Statements
- S26;S36
- 3.1 Packing Group
- III
- 3.1 Hazard Class
- 6.1
- 3.1 Hazard Declaration
- H302-H315-H319-H335
- 3.1 RIDADR
- 3276
- 3.1 Caution Statement
- P261-P305 + P351 + P338
- 3.1 WGK Germany
- 3
- 3.1 Safety
-
Safety Information of 2-Cyanophenol (CAS No.611-20-1):
Hazard Codes:?
Xn,
Xi
Risk Statements: 22-36/37/38-20/21/22
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-45?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 29269095
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- 3.2 Specification
-
???2-Cyanophenol (CAS No.611-20-1), it also can be called 2-Hydroxybenzonitrile ; Benzonitrile, o-hydroxy- ; Salicylnitrile ; o-Cyanophenol ; o-Hydroxybenzonitrile . It is white to light yellow crystal powder.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Skin sensitization, Category 1B
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Danger |
| Hazard statement(s) | H302 Harmful if swallowed H317 May cause an allergic skin reaction H318 Causes serious eye damage |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). 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. P310 Immediately call a POISON CENTER/doctor/\u2026 |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
611-20-1Total: 116 Synthesis Route
8. Other Information
- 8.0 Mesh Entry Terms
- 2-cyanophenol
- 8.1 Manufacturing Info
- Benzonitrile, 2-hydroxy-: ACTIVE
- 8.2 Usage
- 2-Hydroxybenzonitrile is used as starting reagent during the synthesis of mono-alkoxyphenyloxazoline, furanoside.
9. Computational chemical data
- Molecular Weight: 119.1207g/mol
- Molecular Formula: C7H5NO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 119.037113783
- Monoisotopic Mass: 119.037113783
- Complexity: 135
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 44
- Heavy Atom Count: 9
- 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: AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAACAAADASBmAAwBoAAAgCQBiBCAAAiAAAgIAAIiAAGCIgIpiKCERKAcAAkwBEImA+AwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==
10. Question & Answer
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2-Cyanophenol is an important intermediate in pesticides, fragrances, liquid crystal materials, and other industries. It is particularly crucial in the synthesis of the fungicide mepiquat chloride, a..
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Nowadays, people are paying more and more attention to environmental protection, and the treatment of chemical wastewater has received attention. Improper treatment can easily lead to environmental po..
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Background and Overview[1] 2-Cyanophenol, commonly known as salicylonitrile, is also called 2-hydroxybenzonitrile, ortho-hydroxybenzonitrile, 2-cyanobenzene phenol, etc. It has certain water solubilit..
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