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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Agrochemical Intermediates  /  Organic Intermediate
2-Chloro-3-cyanopyridine structure
2-Chloro-3-cyanopyridine structure

2-Chloro-3-cyanopyridine

Iupac Name:2-chloropyridine-3-carbonitrile
CAS No.: 6602-54-6
Molecular Weight:138.554
Modify Date.: 2022-11-25 00:54
Introduction:

white to light yellow crystal powder

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1. Names and Identifiers
1.1 Name
2-Chloro-3-cyanopyridine
1.2 Synonyms

2-CHLORO-3-CYANO PYRIDINE 2-CHLORO-3-CYANO PYRIDINE 2-CHLORONICOTINONITRILE 2-Chloro-3-cyanopyri 2-chloro-3-cyano-pyridine 2-CHLORO-3-CYANO-PYRIDINE, 2-CHLORONICTINONITRIL 2-Chloro-3-pyridinecarbonitrile 2-chlorocyanopyridine 2-CHLORONICOTINITRILE 2-CHLORONICOTINONITRILE 2-Chloronicotinonitrile (2-Chloro-3-cyano pyridine) 2-Chloronicotinotrile 2-Chloronictinonitril 2-CHLOROPYRIDINE-3-CARBONITRILE 2-Chlorpyridin-3-carbonitril 3-Cyano-2-chloropyridine 3-Pyridinecarbonitrile, 2-chloro- EINECS 229-550-1 MFCD00014628 Nicotinonitrile, 2-chloro- NSC 73287 RARECHEM AH CK 0066

1.3 CAS No.
6602-54-6
1.4 CID
81079
1.5 EINECS(EC#)
229-550-1
1.6 Molecular Formula
C6H3ClN2 (isomer)
1.7 Inchi
InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
1.8 InChkey
JAUPUQRPBNDMDT-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=C(N=C1)Cl)C#N
1.10 Isomers Smiles
C1=CC(=C(N=C1)Cl)C#N
2. Properties
3.1 Density
1.33
3.1 Melting point
104-106℃
3.1 Boiling point
257.6 °C at 760 mmHg
3.1 Refractive index
1.565
3.1 Flash Point
109.6 °C
3.1 Precise Quality
137.99800
3.1 PSA
36.68000
3.1 logP
1.60668
3.1 Appearance
white to light yellow crystal powder
3.2 Storage
2-8°C
3.3 Chemical Properties
white to light yellow crystal powder 2-Chloro-3-cyanopyridine Preparation Products And Raw materials Preparation Products
3.4 Color/Form
White to off-white
3.5 pKa
-2.17±0.10(Predicted)
3. Safety and Handling
4.1 Hazard Codes
Xn
4.1 Risk Statements
R20/21/22;R36/37/38
4.1 Safety Statements
S26;S36/37/39
4.1 Packing Group
III
4.1 Hazard Class
6.1
4.1 Hazard Declaration
H302-H312-H315-H319-H332-H335
4.1 RIDADR
UN 3439 6.1/PG 3
4.1 Caution Statement
P261-P280-P305 + P351 + P338
4.1 WGK Germany
3
4.1 Safety

Hazard Codes:?HarmfulXn,ToxicT,IrritantXi
Risk Statements:? 20/21/22-36/37/38
20/21/22:? Harmful by inhalation, in contact with skin and if swallowed?
36/37/38:? Irritating to eyes, respiratory system and skin
Safety Statements:? 26-36-36/37/39
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:? Wear suitable protective clothing
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 3439 6.1/PG 3
WGK Germany: 3
Hazard Note: Toxic/Irritant
HazardClass: 6.1

4.2 Specification

? 2-Chloronicotinonitrile ,?its cas register number is 6602-54-6. It also can be called?2-Chlorpyridin-3-carbonitril ; 3-pyridinecarbonitrile, 2-chloro- ; 2-Chloro-3-cyanopyridine ; 2-Chloro-3-cyano-pyridine ; 2-Chloro-3-cyano-pyridine, 2-Chloronictinonitrile ; 2-Chloro-3-cyano-pyridine; 2-Chloronictinonitril ; 2-Chloro-3-pyridinecarbonitrile .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

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/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation 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+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Computational chemical data
  • Molecular Weight: 138.554g/mol
  • Molecular Formula: C6H3ClN2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.5
  • Exact Mass: 137.9984758
  • Monoisotopic Mass: 137.9984758
  • Complexity: 137
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 36.7
  • 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: AAADcQBjAAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIAAAAADALBGiQ8gJIIEACwBjBnRACigCAxBiAI2CA4ZpgIoOLBk5GEIAhggADIyA4QAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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