2-Amino-4,6-dichloropyrimidine

HCID 65522CAS 56-05-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(Cl)cc(Cl)n1
InChIKey
JPZOAVGMSDSWSW-UHFFFAOYSA-N
Molecular formula
C4H3Cl2N3
Average molar mass
163.99 g/mol
Monoisotopic mass
162.97040246

Overview

structure

Names & identifiers

Preferred name
2-Amino-4,6-dichloropyrimidine
IUPAC
4,6-dichloropyrimidin-2-amine
English name
2-Amino-4,6-dichloropyrimidine
Molecular formula
C4H3Cl2N3
Molecular weight
163.99

Names & synonyms

2-Amino-4,6-dichloropyrimidine56-05-34,6-Dichloro-2-pyrimidinamine2-Pyrimidinamine, 4,6-dichloro-Pyrimidine, 2-amino-4,6-dichloro-DTXSID2049420NSC-18698885F759P8IDTXCID1029380RefChem:85162200-253-94,6-dichloropyrimidin-2-amine
Show more names
ADCPpy11AKOS 90013oropyrimidine2-Amino-4,6-dichLTIMTEC-BB SBB0039196-dichloropyriMidineLABOTEST-BB LT00080771
MFCD00006090Py 114,6-Dichloropyrimidin-2-ylamineBRN 01184544,6-Dichloro-2-aminopyrimidine2-amino-4,6-dichloropyrimdine2-amino-4,6-dichloropyrmidine2-Amino-4,6 dichloropyrimidine

Database identifiers

CAS
56-05-3
PubChem CID
65522
DTXSID
DTXSID2049420
ChEMBL
CHEMBL3188288
UNII
885F759P8I
EC Number
200-253-9
Nikkaji
J207.971B

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
219 · 219-222 °C (lit.)
Boiling point
219 · 219-222°C
Density
1.6662 · 1.6662 (rough estimate)
refractive index
1.63 · 1.6300 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
0.14 · 0.14±0.10(Predicted)

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 52 reports by companies from 10 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

F
10
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
UV6260485
hs_code
29335995

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyrimidinamine, 4,6-dichloro-: ACTIVE
Applications · 1 item

UsesMicrowave-assisted synthesis of pyrazolo [3, 4-d] pyrimidines from 2-amino-4, 6-dichloropyrimidine-5-carbaldehyde is under solvent-free conditions. A series of 6-alkynyl-2,4-diaminopyrimidine derivatives bearing various substituents at alkynyl moiety was prepared by the Sonogashira cross-coupling reaction of 2,4-diamino-6-iodopyrimidine using Pd(PPh3)2Cl2 as catalyst.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
杭州布朗生物医药科技有限公司15967138206

Related reactions

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Linked notes

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