Basic information
- CAS
89033-89-6- Standard SMILES
Nc1nc(N)c(Cl)c(Cl)n1- InChIKey
LQNTZVJAJKGYMB-UHFFFAOYSA-N- Molecular formula
- C4H4Cl2N4
- Average molar mass
- 179 g/mol
- Monoisotopic mass
- 177.98130149
Names & identifiers
- Preferred name
- 5,6-Dichloro-2,4-pyrimidinediamine
- IUPAC
- 5,6-dichloropyrimidine-2,4-diamine
- English name
- 5,6-dichloropyrimidine-2,4-diamine
- Molecular formula
- C4H4Cl2N4
- Molecular weight
- 179.01
Names & synonyms
89033-89-65,6-Dichloro-2,4-pyrimidinediamineR4VP7H2FAUNSC-403355RefChem:10721805,6-dichloropyrimidine-2,4-diamine2,4-diamino-5,6-dichloropyrimidineMFCD206938822,4-Pyrimidinediamine, 5,6-dichloro-2,4-Diamino 5,6 dichloropyrimidinePyrimidine, 2,4-diamino-5,6-dichloro-NSC403355
Show more names
Carisoprodol Impurity 1 (Carisoprodol EP Impurity A)
Chloridazon Impurity 5UNII-R4VP7H2FAUSCHEMBL5491792DTXSID00323206LQNTZVJAJKGYMB-UHFFFAOYSA-N2,4-Diamine-5,6-DichloropyrimidineAKOS040769008FD166146
Database identifiers
- CAS
89033-89-6- PubChem CID
- 345631
- DTXSID
DTXSID00323206- UNII
- R4VP7H2FAU
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 436.4 · 436.4±55.0 °C(Predicted)
- Density
- 1.715 · 1.715±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture and light
- pka
- 1.96 · 1.96±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 4 VP7H2FAU · R4VP7H2FAU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses5,6-Dichloro-2,4-Pyrimidinediamine is a useful research chemical. It’s used in the preparation for quinazolinone compounds as phosphatidylinositol 3-kinase inhibitors.
Upstream & downstream products
Downstream products
Suppliers30 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南可为生物科技有限公司15315592897 · [email protected]
Related reactions
6 records
Compound notes
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