CAS 22536-67-0 2,5-Dichloropyrimidine (HCID 590641)

Names & identifiers

Preferred name: 2,5-Dichloropyrimidine
IUPAC: 2,5-dichloropyrimidine
English name: 2,5-Dichloropyrimidine
Molecular formula: C4H2Cl2N2
Molecular weight: 148.98

Names & synonyms

2,5-Dichloropyrimidine22536-67-0DTXSID50343575RefChem:82817DTXCID50294654639-415-2CEJAHXLRNZJPQH-UHFFFAOYSA-NPYRIMIDINE, 2,5-DICHLORO-2,5-dichloro-pyrimidineMFCD00673131SCHEMBL1496362,5-Dichloropyrimidine, 97%

Show more names

EOS-604922,5-Dichlo2,5-chloropyrimidineMacitentan Impurity 322,5‐Dichloropyridimidine2,5-Dichloro-1,3-diazine2,5-Dichloropyrimidine>2,5-Dichloropyrimidine 97%

AKOS005174627AC-6945PS-3959D4045EN300-86285F0001-0794Z1198154633BCP05864

Database identifiers

CAS: 22536-67-0
PubChem CID: 590641
DTXSID: DTXSID50343575
UNII: S22BF7S8RK
EC Number: 639-415-2
Nikkaji: J526.202J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 70.4

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 48 · 48-55 °C
Boiling point: 190 °C · 190°C
Density: 1.493 · 1.493
Flash point: 140 °C · 140°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -2.84 · -2.84±0.22(Predicted)
form: Powder
color: Off-white
Water Solubility: Slightly soluble in water.
λmax: 268 nm · 268nm(EtOH)(lit.)
InChI: InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey: CEJAHXLRNZJPQH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)C=N1
CAS DataBase Reference: 22536 · 22536-67-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H318-H400
Precautionary statements: 273 · P273-P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes: C,N,Xn
Risk Statements: 22 · 22-41-50
Safety Statements: 26 · 26-39-61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 2 · 2
HazardClass: LACHRYMATOR, CORROSIVE
PackingGroup: Ⅲ
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Danger

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

Safety data

wgk: 2
ridadr: UN 3077 9/PG 3
hs_code: 29335990
risk_code: 22-41-50
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: C,N,Xn
safety_code: 26-39-61
hazard_class: 9
Storage Class: 11 - Combustible Solids
packing_group: Ⅲ
Hazard statements: H302-H318-H400
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P273-P280-P301+P312+P330-P305+P351+P338+P310

Chemistry & industry

Applications

Uses2,5-Dichloropyrimidine acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Preparation methods · 1 item

Preparation2,5-Dichloropyrimidine was synthesised from 2-hydroxypyrimidine hydrochloride by treatment with aqueous chlorine solution. Reaction of the product with phosphoryl chloride in the presence of N,N-dimethylaniline gave the desired product in 40% yield. The sample was then purified by sublimation.