Basic information
- CAS
101494-94-4- Standard SMILES
O=c1[nH]ncc2cccc(Cl)c12- InChIKey
LLXGUIBZJQLYJE-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 180.00904046
Names & identifiers
- Preferred name
- 8-Chloro-1(2H)-phthalazinone
- IUPAC
- 8-chloro-2H-phthalazin-1-one
- English name
- 8-Chlorophthalazin-1(2H)-one
- Molecular formula
- C8H5ClN2O
- Molecular weight
- 180.59
Names & synonyms
101494-94-48-Chloro-1(2H)-phthalazinoneRefChem:3118968-Chlorophthalazin-1(2H)-one8-CHLORO-2H-PHTHALAZIN-1-ONEMFCD225816371(2H)-Phthalazinone, 8-chloro-SCHEMBL14911424LLXGUIBZJQLYJE-UHFFFAOYSA-NDTXSID701309557DB-307439CS-0112569
Show more names
F52960F606815
Database identifiers
- CAS
101494-94-4- PubChem CID
- 71307662
- DTXSID
DTXSID701309557
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 198 · 198-199 °C
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 11.35 · 11.35±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
河南伊诺凯新材料有限公司18836288690 18836288690 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
1 records
Compound notes
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