4-Amino-5-bromo-2-chloropyrimidine (HCID 2763293)

Names & identifiers

Preferred name: 4-Amino-5-bromo-2-chloropyrimidine
IUPAC: 5-bromo-2-chloropyrimidin-4-amine
English name: 4-Amino-5-bromo-2-chloropyrimidine
Molecular formula: C4H3BrClN3
Molecular weight: 208.44

Names & synonyms

4-Amino-5-bromo-2-chloropyrimidine205672-25-9DTXSID00376878RefChem:517922DTXCID00327906639-424-15-bromo-2-chloropyrimidin-4-amine4-Pyrimidinamine, 5-bromo-2-chloro-5-BROMO-2-CHLORO-4-PYRIMIDINAMINEMFCD077820405-bromo-2-chloro-pyrimidin-4-ylamineSCHEMBL246368

Show more names

CAS:205672-25-94-Amino-5-bromo-2-chloropyrimidin4-AMINO-5-BROMO-2-CHLOROPYRIMIDINE, 95+%5-Bromo-2-chloropyrimidin-4-amine, 4-Amino-5-bromo-2-chloro-1,3-diazine

AMY2455-bromo-2-chloro-pyrimidin-4-amine5-bromo-2-chloropyrimidine-4-ylamineQOWALNIZDHZTSM-UHFSCHEMBL31259503QOWALNIZDHZTSM-UHFFFAOYSA-N5-Bromo-2-chloropyrimidin-4-ylamineSBB070457

Database identifiers

CAS: 205672-25-9
PubChem CID: 2763293
DTXSID: DTXSID00376878
EC Number: 639-424-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 102

Physicochemical properties

Melting point: 187 · 187-188 °C(Solv: acetonitrile (75-05-8))
Boiling point: 369.8 · 369.8±22.0 °C(Predicted)
Density: 1.96 · 1.960±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.68 · 0.68±0.10(Predicted)
form: Liquid
color: Clear brown to purple
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKey: QOWALNIZDHZTSM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C(N)=N1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41-36/37/38
Safety Statements: 26 · 26-39-36/37/39
RIDADR: 2811 · UN2811
WGK Germany: 3 · WGK 3
HS Code: 29335990 · 29335990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin 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 4 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

wgk: WGK 3
ridadr: UN2811
hs_code: 29335990
risk_code: 22-37/38-41-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P280-P301+P310-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Amino-5-bromo-2-chloropyrimidine is a useful research chemical, an intermediate in the synthesis of pyrimidine Schiff bases with antibacterial, antioxidant, anti-inflammatory and antifungal properties.

Uses4-Amino-5-bromo-2-chloropyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.