Pyridine, 2,3,4,5-tetrachloro-6-(trichloromethyl)-

HCID 70811

Notes Reactions

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Basic information

CAS: 1134-04-9
Standard SMILES: Clc1nc(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1Cl
InChIKey: YMBFWRZKTZICHS-UHFFFAOYSA-N
Molecular formula: C6Cl7N
Average molar mass: 334.2 g/mol
Monoisotopic mass: 330.78504276

Names & identifiers

Preferred name: Pyridine, 2,3,4,5-tetrachloro-6-(trichloromethyl)-
IUPAC: 2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine
English name: 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine
Molecular formula: C6Cl7N
Molecular weight: 334.24

Names & synonyms

2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine1134-04-9HeptachloropicolineHeptachloro-2-dicolineHeptachloro-2-picolineEINECS 214-481-1Pyridine, 2,3,4,5-tetrachloro-6-(trichloromethyl)-DTXSID0044781BRN 04036653,4,5,6-Tetrachloro-2-(trichloromethyl)pyridineDTXCID80247815-20-05-00501 (Beilstein Handbook Reference)

Show more names

AKOS BBS-000046452-(Trichloromethyl)-3,4,5,6-tetrachloropyridine2,3,4,5-TETRACHLORO-6-(TRICHLOROMETHYL) PYRIDINE2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine CAS NO.1134-04-9

RefChem:870578214-481-1Pyridine, tetrachloro(trichloromethyl)-SCHEMBL1377623CHEMBL3187422tetrachloro-2-trichloromethylpyridineTox21_301250MFCD00186512

Database identifiers

CAS: 1134-04-9
PubChem CID: 70811
DTXSID: DTXSID0044781
ChEMBL: CHEMBL3187422
EC Number: 214-481-1
Nikkaji: J203.381J

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 58 · 58-60 °C
Boiling point: 322.4 · 322.4±37.0 °C(Predicted)
Density: 1.838 · 1.838±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -7.62 · -7.62±0.10(Predicted)
Henry's Law Constant: 1.5 · 1.5×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
CAS DataBase Reference: 1134 · 1134-04-9(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine (1134-04-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
TSCA: TSCA listed
HazardClass: IRRITANT
Toxicity: 50 · mouse,LD50,oral,1500mg/kg (1500mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENT,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 62, 1980.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Toxicity: mouse,LD50,oral,1500mg/kg (1500mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: EXCITEMENT,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 62, 1980.
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338