2-Chloro-5-propylpyrimidine

HCID 2735784

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Basic information

CAS: 219555-98-3
Standard SMILES: CCCc1cnc(Cl)nc1
InChIKey: WVPHBBSAPVBUGZ-UHFFFAOYSA-N
Molecular formula: C7H9ClN2
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.04542597

Names & identifiers

Preferred name: 2-Chloro-5-propylpyrimidine
IUPAC: 2-chloro-5-propylpyrimidine
English name: 2-Chloro-5-propylpyrimidine
Molecular formula: C7H9ClN2
Molecular weight: 156.61

Names & synonyms

2-Chloro-5-propylpyrimidine219555-98-3DTXSID70370944RefChem:259011DTXCID90321978639-334-22-Chloro-5-n-propylpyrimidine2-chloro-5-propyl-pyrimidineMFCD007994032-chloro-5-n-propyl-pyrimidinePyrimidine, 2-chloro-5-propyl-5-propyl-2-chloropyrimidine

Show more names

2-chloro5-n-propylpyrimidine2-chloro-5-(n-propyl)pyrimidineSY029517CS-00459442-chloro-5-propylpyrimidinA815782SCHEMBL303902orb3030439

Database identifiers

CAS: 219555-98-3
PubChem CID: 2735784
DTXSID: DTXSID70370944
EC Number: 639-334-2
Nikkaji: J1.632.264D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 89.6

Physicochemical properties

Melting point: 185 · 185-186
Boiling point: 100 °C · 100°C 3mm
Density: 1 · 1,14 g/cm3
refractive index: 1.514 · 1.514
Flash point: 100 °C/3mm · 100°C/3mm
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Dark red/brown
CAS DataBase Reference: 219555 · 219555-98-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

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 5 reports by companies from 2 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

hs_code: 2933599590
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313