CAS 5428-89-7 2-Pyrimidinamine, 5-chloro- (HCID 79479)

Names & identifiers

Preferred name: 2-Pyrimidinamine, 5-chloro-
IUPAC: 5-chloropyrimidin-2-amine
English name: 5-Chloropyrimidin-2-amine
Molecular formula: C4H4ClN3
Molecular weight: 129.55

Names & synonyms

5-Chloropyrimidin-2-amine2-Pyrimidinamine, 5-chloro-5-Chloro-2-pyrimidinaminePyrimidine, 2-amino-5-chloro-EINECS 226-581-2NSC 13326BRN 0110914DTXSID90638755-25-10-00084 (Beilstein Handbook Reference)RefChem:483428DTXCID8041662226-581-2

Show more names

5-chloro-pyrimidin-2-ylamineTIMTEC-BB SBB0054865-chloro-2-pyrimidinamin2-amino-5-chloro-pyrimidin5-CHLORO-2-AMINOPYRIMIDINE5-chloro-2-pyrimidinylamine

2-Amino-5-chloropyrimidine5428-89-7MFCD00014604NSC-133265-chlorpyrimidin-2-amin5-chloropyrimidine-2-ylamineNSC13326LVC9BC7LGW

Database identifiers

CAS: 5428-89-7
PubChem CID: 79479
DTXSID: DTXSID9063875
UNII: LVC9BC7LGW
EC Number: 226-581-2
Nikkaji: J2.234I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 69.7

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 235 · 235-238 °C (lit.)
Boiling point: 314.6 · 314.6±34.0 °C(Predicted)
Density: 1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 1.93 · 1.93±0.10(Predicted)
color: White to Almost white
BRN: 110914 · 110914
InChI: 1S/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey: OQZMDDKDHRIGDY-UHFFFAOYSA-N
SMILES: Nc1ncc(Cl)cn1
CAS DataBase Reference: 5428 · 5428-89-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 BC7LGW · LVC9BC7LGW
NIST Chemistry Reference: 2 · 2-Amino-5-chloropyrimidine(5428-89-7)
EPA Substance Registry System: 2 · 2-Pyrimidinamine, 5-chloro- (5428-89-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 264 · P264-P270-P280-P301+P310-P305+P351+P338-P405
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-36/37
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 6329500 · UV6329500
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
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. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (81.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (81.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: UV6329500
ridadr: UN 2811 6.1/PG 3
hs_code: 29335990
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P264-P270-P280-P301+P310-P305+P351+P338-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyrimidinamine, 5-chloro-: ACTIVE

Applications

Uses5-Chloropyrimidin-2-amine is an useful reagent of research interest in the preparation of JAK2 inhibitors for the treatment of myeloproliferative disorders and SIRT2 inhibitors for the treatment of Huntington''s disease.