Basic information
- CAS
154136-31-9- Standard SMILES
NNc1nc(C(F)(F)F)nc2ccccc12- InChIKey
OBZZCRXGECYMPR-UHFFFAOYSA-N- Molecular formula
- C9H7F3N4
- Average molar mass
- 228.17 g/mol
- Monoisotopic mass
- 228.06228088
Names & identifiers
- Preferred name
- 4-Hydrazino-2-(trifluoromethyl)quinazoline
- IUPAC
- [2-(trifluoromethyl)quinazolin-4-yl]hydrazine
- English name
- 4-Hydrazino-2-(trifluoromethyl)quinazoline
- Molecular formula
- C9H7F3N4
- Molecular weight
- 228.17
Names & synonyms
154136-31-94-hydrazino-2-(trifluoromethyl)quinazolineDTXSID40363080RefChem:293065DTXCID303141274-hydrazinyl-2-(trifluoromethyl)quinazoline[2-(trifluoromethyl)quinazolin-4-yl]hydrazineMFCD007936934(1H)-Quinazolinone, 2-(trifluoromethyl)-, hydrazone4-Hydrazino-2-trifluoromethylquinazoline(2-Trifluoromethyl-quinazolin-4-yl)-hydrazineMLS001004038
Show more names
Quinazoline, 4-hydrazinyl-2-(trifluoromethyl)-[2-(Trifluoromethyl)quinazolin-4-yl]hydrazine, 4-Hydrazino-2-(trifluoromethyl)-1,3-benzodiazine
SCHEMBL4643539CHEMBL1607005HMS2704L03EGA13631RS-1-7SBB097263AKOS001076201AKOS030241118
Database identifiers
- CAS
154136-31-9- PubChem CID
- 1475464
- DTXSID
DTXSID40363080- ChEMBL
CHEMBL1607005
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Solubility19.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 258 · 258-261°
- Boiling point
- 295.9 · 295.9±50.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -2.8 · -2.80±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
5 records
Compound notes
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