CAS 22536-63-6 2-Chloro-4-methoxypyrimidine (HCID 588935)

Names & identifiers

Preferred name: 2-Chloro-4-methoxypyrimidine
IUPAC: 2-chloro-4-methoxypyrimidine
English name: 2-Chloro-4-methoxypyrimidine
Molecular formula: C5H5ClN2O
Molecular weight: 144.56

Names & synonyms

2-Chloro-4-methoxypyrimidine22536-63-6DTXSID40343307RefChem:86244DTXCID60294387628-512-5BDXYNMVQMBCTDB-UHFFFAOYSA-N2-Chloro-4-methoxy-pyrimidineMFCD00194055Pyrimidine, 2-chloro-4-methoxy-2-chloro4-methoxypyrimidineSCHEMBL61299

Show more names

2-Chloro-4-methoxypyrimidine 98%2-chloro-4-methoxy pyrimdine2-Chloro-6-methoxypyrimidine2-Chloro-4-methoxy-1,2-diazinePyrimidine, 2-chloro-4-methoxy- (6CI,8CI,9CI)2-CHLORO-4-METHOXYPYRIMIDINE ISO 9001：2015 REACH

4-methoxy-2-chloropyrimidine2-chloro -4-methoxypyrimidineorb3030596SCHEMBL1526608SCHEMBL290020842-chloro-4-(methyloxy)pyrimidineFr13644STR07516

Database identifiers

CAS: 22536-63-6
PubChem CID: 588935
DTXSID: DTXSID40343307
EC Number: 628-512-5
Nikkaji: J240.166E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Physicochemical properties

Melting point: 54 · 54-57 °C (lit.)
Boiling point: 96 · 96-97 °C(Press: 18 Torr)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 0.07 · 0.07±0.20(Predicted)
color: White to yellow
InChI: 1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey: BDXYNMVQMBCTDB-UHFFFAOYSA-N
SMILES: COc1ccnc(Cl)n1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Chloro-4-methoxypyrimidine is a pharmaceutical intermediate compound used in the preparation of Rilpivirine, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of Human Immunodeficiency Virus (HIV) infections, which prevents the replication of the virus.