2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Basic information
- CAS
5458-56-0- Standard SMILES
O=C(O)C1CCc2nc(Cl)nc(Cl)c2C1- InChIKey
IGTFBKKBTPDJCU-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2N2O2
- Average molar mass
- 247.07 g/mol
- Monoisotopic mass
- 245.9962829
Names & identifiers
- Preferred name
- 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
- IUPAC
- 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
- English name
- 2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
- Molecular formula
- C9H8Cl2N2O2
- Molecular weight
- 247.08
Names & synonyms
2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid5458-56-0MFCD12198785NSC236082,4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylicacidDTXSID70281965NSC-23608AKOS027255153AS-71019SY123196DB-329610CS-0038039
Show more names
2,4-Dichloro-5,6,7,8-Tetrahydroquinazoline-6-Carboxylic Acid Nsc23608
W14790F5453442.4-Dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid2,4-Dichloro-5,6,7,8-Tetrahydroquinazoline-6-Carboxylic Acid(WX140002)2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid2,4-dichloro-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Database identifiers
- CAS
5458-56-0- PubChem CID
- 229739
- DTXSID
DTXSID70281965
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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