2-Chloro-4-aminopyrimidine
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Basic information
- CAS
7461-50-9- 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 propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
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)
- color
- White to Light yellow
- InChI
- InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)
- InChIKey
- LPBDZVNGCNTELM-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC(N)=N1
- CAS DataBase Reference
- 7461 · 7461-50-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT-HARMFUL
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
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
Upstream raw materials
Downstream products
Related reactions
46 records
Compound notes
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