5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro- (HCID 84230)

Names & identifiers

Preferred name: 5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
IUPAC: 4-amino-6-chloropyrimidine-5-carbaldehyde
English name: 4-Amino-6-chloropyrimidine-5-carbaldehyde
Molecular formula: C5H4ClN3O
Molecular weight: 157.56

Names & synonyms

14160-93-14-Amino-6-chloropyrimidine-5-carbaldehyde4-Amino-6-chloropyrimidine-5-carboxaldehyde5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-EINECS 238-005-7DTXSID6065717RefChem:537784DTXCID2034596238-005-74-Amino-6-chloro-5-pyrimidinecarbaldehyde4-AMINO-6-CHLORO-PYRIMIDINE-5-CARBALDEHYDEMFCD03789626

Show more names

RARECHEM AK ML 05694-aMino-6-chloropyriMidin-5-carbaldehyde4-AMI-6-CHLORO-PYRIMIDINE-5-CARBALDEHYDE4-Chloro-6-aminopyrimidine-5-carbaldehyde4-aMino-6-chloro-pyriMidine-5-carbaledhyde5-PyriMidinecarbaldehyde, 4-aMino-6-chloro

4-Amino-6-chloro-5-pyrimidinecarboxaldehydeSCHEMBL678617AB1045SBB087230AKOS005070028AB16151CS-W016215NA57367

Database identifiers

CAS: 14160-93-1
PubChem CID: 84230
DTXSID: DTXSID6065717
EC Number: 238-005-7
Nikkaji: J216.889H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 300 °C · >300°C
Boiling point: 355.9 · 355.9±42.0 °C(Predicted)
Density: 1.548 · 1.548±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Solid
pka: 0.72 · 0.72±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Sensitive: Air Sensitive
InChI: InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C(C=O)C(N)=N1
EPA Substance Registry System: 5 · 5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro- (14160-93-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 43 · 43-36/37/38
Safety Statements: 36 · 36/37-36/37/39-26
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

tsca: TSCA listed
hs_code: 29335990
risk_code: 43-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37-36/37/39-26
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-: INACTIVE

Applications · 1 item

Uses4-Amino-6-chloropyrimidine-5-carbaldehyde is an important pharmaceutical intermediate compound that can be used in the preparation of ENPP1 inhibitors [1]. Furthermore, it serves as a key starting material for the synthesis of novel 4-amino-pyrimidine-5-formyl oxime VEGFR-2 inhibitors [2].