6-Chloro-2,3-dihydro-3-hydroxy-2-imino-4-pyrimidinamine
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Basic information
- CAS
34960-71-9- Standard SMILES
N=c1nc(Cl)cc(N)n1O- InChIKey
DOYINGSIUJRVKA-UHFFFAOYSA-N- Molecular formula
- C4H5ClN4O
- Average molar mass
- 160.56 g/mol
- Monoisotopic mass
- 160.0151885
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dihydro-3-hydroxy-2-imino-4-pyrimidinamine
- IUPAC
- 6-chloro-3-hydroxy-2-iminopyrimidin-4-amine
- English name
- 6-AMINO-4-CHLORO-2-IMINO-2H-PYRIMIDIN-1-OL
- Molecular formula
- C4H5ClN4O
- Molecular weight
- 160.56
Names & synonyms
34960-71-96-AMINO-4-CHLORO-2-IMINO-2H-PYRIMIDIN-1-OLDTXSID8012048632,4-diamino-6-chloropyrimidine-3-oxide6-Chloro-2,3-dihydro-3-hydroxy-2-imino-4-pyrimidinamineRefChem:541465DTXCID801636282609-047-7609-076-52,6-Diamino-4-chloropyrimidine 1-oxide35139-67-4Minoxidil EP Impurity A
Show more names
Minoxidil Impurity 42Bifeprunox Impurity 574-Pyrimidinamine, 6-chloro-2,3-dihydro-3-hydroxy-2-imino-6-?Chloro-?2,?3-?dihydro-?3-?hydroxy-?2-?imino-4-?pyrimidinamine
6-Amino-4-chloro-2-iminopyrimidin-1(2H)-olMinoxidil Impurity A6-chloro-3-hydroxy-2-iminopyrimidin-4-amine2,6-Diamino-4-chloropyrimidine-1-oxide6-Chloro-pyrimidine-2,4-diamine 3-Oxide6-chloropyrimidine-2,4-diamine 3-oxideMFCD00134274NSC-137211
Database identifiers
- CAS
34960-71-9、35139-67-4- PubChem CID
- 1551525
- DTXSID
DTXSID801204863- UNII
- BY7Z5QM433
- EC Number
- 609-047-7、609-076-5
- Nikkaji
- J426.717F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 282.6 · 282.6±43.0 °C(Predicted)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- solubility
- DMF, DMSO
- form
- Solid
- pka
- 13.25 · 13.25±0.70(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.
Danger
H200 (10.2%): (Deleted) Unstable Explosive [Danger Explosives]
P201, P202, P210, P240, P241, P261, P264, P264+P265, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P372, P373, P380, P401, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationREACH registered substance: 2,4-Diamino-6-chloropyrimidine-3-oxide (EC: 609-076-5)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Unst. Expl. (10.2%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
4 records
Compound notes
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