CAS 213265-83-9 4,6-Dichloro-5-fluoropyrimidine (HCID 11286675)

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Basic information

CAS: 213265-83-9
Standard SMILES: Fc1c(Cl)ncnc1Cl
InChIKey: DGMIGAHDDPJOPN-UHFFFAOYSA-N
Molecular formula: C4HCl2FN2
Average molar mass: 166.97 g/mol
Monoisotopic mass: 165.95008161

Names & identifiers

Preferred name: 4,6-Dichloro-5-fluoropyrimidine
IUPAC: 4,6-dichloro-5-fluoropyrimidine
English name: 4,6-Dichloro-5-fluoropyrimidine
Molecular formula: C4HCl2FN2
Molecular weight: 166.97

Names & synonyms

4,6-Dichloro-5-fluoropyrimidine213265-83-9DTXSID80461170RefChem:96628DTXCID90411989446-560-3606-739-04,6-dichloro-5-fluoro-pyrimidineMFCD08056331PYRIMIDINE, 4,6-DICHLORO-5-FLUORO-SCHEMBL83934AKOS005258658

Show more names

4,6-Dichloro-5-fluoropyriMidinene6-Dichloro-5-fluoropyriMidine4,6-Dichloro-5-Fluoro Pyridine4,6-Dichloro-5-fluoro-1,3-diazine4,6-Dichloro-5-fluoropyrimidine,98%4,6-Dichloro-5-fluoropyrimidine ISO 9001：2015 REACH

CS-W007992AC-1077BCP22840BCP9000136BBL101435STL555231FD11921GS-6770

Database identifiers

CAS: 213265-83-9
PubChem CID: 11286675
DTXSID: DTXSID80461170
EC Number: 446-560-3、606-739-0

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 92.6

Physicochemical properties

Boiling point: 50 · 50-60℃/14mm
Density: 1.605 · 1.605±0.06 g/cm3(Predicted)
Flash point: 91 ° · 91°(196°F)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO, Methanol (Slightly)
form: Liquid
pka: -5.42 · -5.42±0.26(Predicted)
color: Colourless
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H
InChIKey: DGMIGAHDDPJOPN-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C(F)C(Cl)=N1
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 227 · H227-H314-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a · P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

Hazard information

Regulatory InformationStatus: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33824

Hazard Classes and Categories · 2 items

Acute Tox. 4 (25%)

Acute Tox. 2 (100%)

Safety data

ridadr: UN3265
hs_code: 29335990
Signal word: Warning
Symbol(GHS): GHS05
safety_code: 24/25
hazard_class: 8
Hazard statements: H227-H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a