CAS 1780-40-1 2,4,5,6-Tetrachloropyrimidine (HCID 15690)

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Basic information

CAS: 1780-40-1
Standard SMILES: Clc1nc(Cl)c(Cl)c(Cl)n1
InChIKey: GVBHCMNXRKOJRH-UHFFFAOYSA-N
Molecular formula: C4Cl4N2
Average molar mass: 217.9 g/mol
Monoisotopic mass: 215.88155872

Names & identifiers

Preferred name: 2,4,5,6-Tetrachloropyrimidine
IUPAC: 2,4,5,6-tetrachloropyrimidine
English name: 2,4,5,6-Tetrachloropyrimidine
Molecular formula: C4Cl4N2
Molecular weight: 217.87

Names & synonyms

2,4,5,6-Tetrachloropyrimidine1780-40-1TetrachloropyrimidinePYRIMIDINE, 2,4,5,6-TETRACHLORO-EINECS 217-228-3NSC 35123BRN 0145778AI3-26568DTXSID40619635-23-05-00347 (Beilstein Handbook Reference)RefChem:81988DTXCID5035662

Show more names

Tetrachlorpyrimidintetrachloro-pyrimidin2,4,5,6-tetrachloro-pyrimidin2,4,5,6-Tetrachloropyrimidine,97%2,4,5,6-TetrachloropyriMidine, 97% 5GR

217-228-3GVBHCMNXRKOJRH-UHFFFAOYSA-NPerchloropyrimidinePyrimidine, tetrachloro-MFCD000060622,4,5,6-Tetrachloro-1,3-pyrimidine2456-TetrachloropyrimidineNSC35123

Database identifiers

CAS: 1780-40-1
PubChem CID: 15690
DTXSID: DTXSID4061963
ChEMBL: CHEMBL2000541
EC Number: 217-228-3
Nikkaji: J7.775E

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 68 · 68-70 °C(lit.)
Boiling point: 108 °C · 108 °C
Density: 1.7673 · 1.7673 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -8.56 · -8.56±0.39(Predicted)
form: Crystalline Powder
color: White
CAS DataBase Reference: 1780 · 1780-40-1(CAS DataBase Reference)
EPA Substance Registry System: Pyrimidine, tetrachloro- (1780-40-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (18.9%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.