Basic information
- CAS
18368-64-4- Standard SMILES
Cc1ccc(Cl)nc1- InChIKey
VXLYOURCUVQYLN-UHFFFAOYSA-N- Molecular formula
- C6H6ClN
- Average molar mass
- 127.57 g/mol
- Monoisotopic mass
- 127.01887687
Names & identifiers
- Preferred name
- 2-Chloro-5-methyl-pyridine
- IUPAC
- 2-chloro-5-methylpyridine
- English name
- 2-Chloro-5-methylpyridine
- Molecular formula
- C6H6ClN
- Molecular weight
- 127.57
Names & synonyms
2-Chloro-5-methylpyridine6-Chloro-3-picoline2-chloro-5-methyl-pyridineDTXSID00342396EC 418-050-0RefChem:469402DTXCID60293476418-050-0629-246-218368-64-42-Chloro-5-picolinePyridine, 2-chloro-5-methyl-
Show more names
2-Chloro-5-PilcolineGuaiacol Impurity 252-Chloro-5-picoline,94%2-chloro-5-methylpyrdine2-Chloro-3-methypyridine2-chloro-5-methyl-pyridin6-Chloro-3-picoline, 97%+
MFCD007924603-Picoline, 6-chloro-6-chloro-3-methylpyridineF0001-06662-chloro-5-methyl pyridineFHE3ZEJ4XAAM200700645-methyl-2-chloropyridine
Database identifiers
- CAS
18368-64-4- PubChem CID
- 581393
- DTXSID
DTXSID00342396- UNII
- FHE3ZEJ4XA
- EC Number
- 418-050-0、629-246-2
- Nikkaji
- J100.610J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
SpringerMaterials PropertiesAtomic environment
Physicochemical properties
- Boiling point
- 97 °C/30 · 97 °C/30 mmHg (lit.)
- Density
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.53(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 0.54 · 0.54±0.10(Predicted)
- form
- Liquid
- color
- Clear light yellow to straw-yellow or light pink-orange
- Specific Gravity
- 1.169 · 1.169
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
- InChIKey
- VXLYOURCUVQYLN-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2975
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- US6740000
- hs_code
- 29333999
- Toxicity
- rat,LD50,oral,1gm/kg (1000mg/kg),National Technical Information Service. Vol. OTS0545693,
- risk_code
- 21/22-38-52/53-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 23-25-36/37-61-36-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302+H312-H315-H412
Chemistry & industry
Applications
Uses2-Chloro-5-methylpyridine may be used in the synthesis of:2-methylthio-5-pyridinemethylene amine5-methyl-2,2′-bipyridine1-(5′-methyl-2,2′-bipyridin-5-yl)-2,5-dimethyl-1H-pyrrole
General Description2-Chloro-5-methylpyridine is a pesticide intermediate. Its synthesis by many methods has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
45 records
Compound notes
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