Pyridine, 2,6-dichloro-3-(chloromethyl)-

HCID 6451791

Notes Reactions

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Basic information

CAS: 41789-37-1
Standard SMILES: ClCc1ccc(Cl)nc1Cl
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
Molecular formula: C6H4Cl3N
Average molar mass: 196.5 g/mol
Monoisotopic mass: 194.940932

Names & identifiers

Preferred name: Pyridine, 2,6-dichloro-3-(chloromethyl)-
IUPAC: 2,6-dichloro-3-(chloromethyl)pyridine
English name: 2,6-Dichloro-3-(chloromethyl)pyridine
Molecular formula: C6H4Cl3N
Molecular weight: 196.46

Names & synonyms

41789-37-1Pyridine, 2,6-dichloro-3-(chloromethyl)-DTXSID20194612RefChem:376520DTXCID601171032,6-Dichloro-3-(chloromethyl)pyridineMFCD07368052SCHEMBL3788322,6-dichloro-3-chloromethylpyridine2,6-Dichloro-3-chloromethyl-pyridine2,6-dichloro-5-pyridylmethyl chloride2,6-dichloro-3-pyridyl

Show more names

2,6-Dichloro-3-picolyl chloride3-(Chloromethyl)-2,6-dichloropyridine

2,6-Dichlor-3-chlormethylpyridineSBB0920382,6-dichloro-3-pyridylmethyl chlorideAKOS005072923AB31596GD-07352,6-dichloro -3-pyridylmethyl chlorideAC-14623

Database identifiers

CAS: 41789-37-1
PubChem CID: 6451791
DTXSID: DTXSID20194612
EC Number: 992-504-0

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 109

Physicochemical properties

Melting point: 89 · 89-90°
Boiling point: 285.5 · 285.5±35.0 °C(Predicted)
Density: 1.463 · 1.463
storage temp.: 2 · 2-8°C
pka: -3.34 · -3.34±0.10(Predicted)
InChI: InChI=1S/C6H4Cl3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1CCl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.