Basic information
- CAS
2257-69-4- Standard SMILES
O=c1[nH]nc(Cl)c2ccccc12- InChIKey
QCKGMJDOJRNSMS-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 180.0090405
Names & identifiers
- Preferred name
- 4-chlorophthalazin-1(2H)-one
- IUPAC
- 4-chloro-2H-phthalazin-1-one
- English name
- 4-Chloro-1,2-dihydrophthalazin-1-one
- Molecular formula
- C8H5ClN2O
- Molecular weight
- 180.59
Names & synonyms
4-chlorophthalazin-1(2H)-one2257-69-4DTXSID10379411RefChem:292157DTXCID203304374-CHLORO-1,2-DIHYDROPHTHALAZIN-1-ONE4-chloro-2H-phthalazin-1-one4-chlorophthalazin-1-ol1(2H)-Phthalazinone, 4-chloro-MFCD001021924-chloro-1(2H)-phthalazinone4-chloro-1-phthalazinol
Show more names
AURORA KA-67681-Chlorophtalazin-4-one1-CHLORO-4-PHTHALAZINONE1-CHLOROPHTHALAZIN-4-ONE4-Chloro-1(2H)-phthalazinone, 98%1-Chloro-3,4-dihydrophthalazin-4-one
4-chlorophthalazone4-chlorophthalazin-1-oneAKOS002665692AKOS003349258AS-30151BP-10972SY239062Q27454516
Database identifiers
- CAS
2257-69-4- PubChem CID
- 2775142
- DTXSID
DTXSID10379411- ChEMBL
CHEMBL2381525- EC Number
- 681-819-6
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 239
Physicochemical properties
- Melting point
- 273 °C · 273 °C
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 10.58 · 10.58±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2922498590 · 2922498590
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Chlorophthalazin-4-one acts as an organic and pharmaceutical intermediate.
Suppliers62 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司
Related reactions
21 records
Compound notes
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