Basic information
- CAS
1822-51-1- Standard SMILES
Cl.ClCc1ccncc1- InChIKey
ZDHKVKPZQKYREU-UHFFFAOYSA-N- Molecular formula
- C6H7Cl2N
- Average molar mass
- 164.03 g/mol
- Monoisotopic mass
- 162.99555458
Names & identifiers
- Preferred name
- 4-(Chloromethyl)pyridinium chloride
- IUPAC
- 4-(chloromethyl)pyridine;hydrochloride
- English name
- 4-(Chloromethyl)pyridine hydrochloride
- Molecular formula
- C6H6ClN.ClH
- Molecular weight
- 164.03
Names & synonyms
4-(Chloromethyl)pyridinium chloridePyridine, 4-(chloromethyl)-, hydrochlorideDTXSID00171264RefChem:515673DTXCID10937554-(Chloromethyl)-pyridinium chloride217-350-74-(Chloromethyl)pyridine hydrochloride1822-51-14-Picolyl chloride hydrochloride4-Chloromethylpyridine hydrochloride4-Chloromethyl-pyridine hydrochloride
Show more names
4-Picolyl chlorideTIMTEC-BB SBB0039174-Picolyl chloride h4-Plcolyl Chloride Hydrochloride4-(Chloromethyl) Pyridine HCL 99%4-(Chloromethyl)pyridine hydrochl4-Picolyl chloride hydrochloride,97%
MFCD000128264-(chloromethyl)pyridine;hydrochloridePyridine, 4-(chloromethyl)-, hydrochloride (1:1)NSC-664834-(chloromethyl)pyridine, chloride4-CHLOROMETHYLPYRIDINE4-(CHLOROMETHYL)PYRIDINE HCLCCRIS 1728
Database identifiers
- CAS
1822-51-1- PubChem CID
- 74570
- DTXSID
DTXSID00171264- ChEMBL
CHEMBL4593693- UNII
- W6PTX3LTA8
- EC Number
- 217-350-7
Properties
Computed structural properties
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 59.5
Physicochemical properties
- Melting point
- 166 · 166-173 °C(lit.)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- soluble in DMSO, Methanol
- form
- Fine Crystalline Powder
- color
- Yellow to orange
- Water Solubility
- 750 g/L · 750 g/L (20 ºC)
- Sensitive
- Hygroscopic
- BRN
- 3689154 · 3689154
- InChI
- InChI=1S/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H
- InChIKey
- ZDHKVKPZQKYREU-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(CCl)=C1.[H]Cl
- CAS DataBase Reference
- 1822 · 1822-51-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-4-22-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45-36
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29333999 · 29333999
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information4-(Chloromethyl)-pyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (16.3%)
Safety data
- F
- 3-10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29333999
- risk_code
- 34-4-22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesIt finds its application as a reagent for protection of carboxyl termini of peptides as 4-picolyl esters, providing a polar 'handle' which aids in separation and purification of the peptide. The group can be introduced in the presence of a base, e.g. tetramethylguanidine, is stable to acid-catalyzed removal of Cbz protecting group and can be removed by base, Na in liquid ammonia or catalytic hydrogenolysis. It is also applied in conjunction with Amberlyst15 resin in peptide synthesis. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
255 records
Compound notes
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