Basic information
- Standard SMILES
Cc1cccc(Cl)n1- InChIKey
GXZDYRYYNXYPMQ-UHFFFAOYSA-N- Molecular formula
- C6H6ClN
- Average molar mass
- 127.57 g/mol
- Monoisotopic mass
- 127.0188769
Names & identifiers
- Preferred name
- 6-Chloro-2-picoline
- IUPAC
- 2-chloro-6-methylpyridine
- English name
- 2-Chloro-6-methylpyridine
- Molecular formula
- C6H6ClN
- Molecular weight
- 127.57
Names & synonyms
Show more names
Database identifiers
- CAS
18368-63-3- PubChem CID
- 87601
- DTXSID
DTXSID0022272- UNII
- 39MX1LQ68L
- EC Number
- 242-241-6
- Nikkaji
- J100.611H
Properties
Computed structural properties
- XLogP
- 2.2
- 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
Physicochemical properties
- Boiling point
- 64 · 64-68 °C10 mm Hg(lit.)
- Density
- 1.167 g/mL · 1.167 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.527(lit.)
- Flash point
- 165 °F · 165 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.1 · 1.10±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to light yellow
- Specific Gravity
- 1.167 · 1.167
- BRN
- 107187 · 107187
- InChI
- InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
- InChIKey
- GXZDYRYYNXYPMQ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C)=CC=C1
- CAS DataBase Reference
- 18368 · 18368-63-3(CAS DataBase Reference)
- FDA UNII
- 39 MX1LQ68L · 39MX1LQ68L
- NIST Chemistry Reference
- 2 · 2-Cl-6-(CH3)-pyridine(18368-63-3)
- EPA Substance Registry System
- 2 · Pyridine, 2-chloro-6-methyl- (18368-63-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2810 · UN2810
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description2-Chloro-6-methylpyridine (2C6MP) is a strong inhibitor of methane monooxygenase, a key enzyme in the aerobic oxidation of methane (CH4). It belongs to the pesticide nitropyridine group of compounds. Studies have shown that 2C6MP has the least effect on CH4 oxidation at concentrations of 0.1 mM and 1 mM, but at a concentration of 10 mM, 2C6MP inhibits CH4 oxidation for >20 months. Low concentrations of 2C6MP did not inhibit Methylophilaceae, while high concentrations of 2C6MP inhibited Methylophilaceae by only 7.8 ± 1.1%[1].
Uses2-Chloro-6-methylpyridine has been used for experimental FTIR and FT-Raman spectroscopic analyses, as well as for conformational studies.
Upstream & downstream products
Downstream products
Suppliers50 total
Related reactions
Linked notes
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