2-Chloro-4-aminopyrimidine

HCID 345752CAS 7461-50-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccnc(Cl)n1
InChIKey
LPBDZVNGCNTELM-UHFFFAOYSA-N
Molecular formula
C4H4ClN3
Average molar mass
129.55 g/mol
Monoisotopic mass
129.00937481

Overview

derivatives are tubulin polymerization inhibitors

Names & identifiers

Preferred name
2-Chloro-4-aminopyrimidine
IUPAC
2-chloropyrimidin-4-amine
English name
4-Amino-2-chloropyrimidine
Molecular formula
C4H4ClN3
Molecular weight
129.55

Names & synonyms

2-Chloro-4-aminopyrimidineRefChem:5176254-Amino-2-chloropyrimidine7461-50-92-chloropyrimidin-4-amine2-Chloro-pyrimidin-4-ylamineMFCD001940512-Chloro-4-pyrimidinamine2-chloropyrimidine-4-amine4-PYRIMIDINAMINE, 2-CHLORO-2-chloropyrimidin-4-ylaminePB14147
Show more names
4-Amino-2-chloropyrimidin...4-Amino-2-chloropyrimidine >4-Amino-2-chloropyrimidine ,97%4-Pyrimidinamine, 2-chloro- (9CI)
EN300-805912-chloropyrimidine-4-ylamineAC-907/30002015NSC403512A9551FT-06012136-amino-2-chloropyrimidine2-chloro-4-pyrimidinylamine

Database identifiers

CAS
7461-50-9
PubChem CID
345752
DTXSID
DTXSID80323289
EC Number
627-766-4
Nikkaji
J526.189I

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
197 · 197-205 °C
Boiling point
338.8 · 338.8±15.0 °C(Predicted)
Density
1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
powder to crystal
pka
2.3 · 2.30±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
29335990
risk_code
36/37/38-36-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses4-Amino-2-chloropyrimidine is a chloropyrimidine compound, which is widely used in the synthesis of various medicines and pesticides. It can be used to transform functional groups, such as amino groups, or to remove chlorine by hydrogenolysis; chlorine can also be used to couple various carbon-carbon bonds.

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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

46 records
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Linked notes

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