Basic information
- CAS
178308-61-7- Standard SMILES
N#Cc1ccc2c(Cl)nnc(Cl)c2c1- InChIKey
FRJDQOMCKHDEJQ-UHFFFAOYSA-N- Molecular formula
- C9H3Cl2N3
- Average molar mass
- 224.04 g/mol
- Monoisotopic mass
- 222.97040246
Names & identifiers
- Preferred name
- 1,4-Dichlorophthalazine-6-carbonitrile
- IUPAC
- 1,4-dichlorophthalazine-6-carbonitrile
- English name
- 1,4-dichlorophthalazine-6-carbonitrile
- Molecular formula
- C9H3Cl2N3
- Molecular weight
- 224.05
Names & synonyms
1,4-dichlorophthalazine-6-carbonitrile178308-61-7MFCD067976336-Phthalazinecarbonitrile, 1,4-dichloro-6-cyano-1,4-dichlorophthalazineSCHEMBL1102316SCHEMBL31719497DTXSID50443105FRJDQOMCKHDEJQ-UHFFFAOYSA-N14-dichlorophthalazine-6-carbonitrileSY268174DB-030964
Show more names
1,4-Dichloro-6-phthalazinecarbonitrile5-ETHYL-6-METHOXY-BENZENESULFONYLCHLORIDE
CS-0448583
Database identifiers
- CAS
178308-61-7- PubChem CID
- 10656738
- DTXSID
DTXSID50443105
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 482.9 · 482.9±40.0 °C(Predicted)
- Density
- 1.57 · 1.57
- pka
- -2.62 · -2.62±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
陕西科贝莱药物研发有限公司13119135307 · [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]
郑州汇聚化工有限公司13393710386 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
华诺医药科技(广西)有限公司
Related reactions
15 records
Compound notes
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