Basic information
- CAS
76462-38-9- Standard SMILES
O=c1[nH]nc(-c2ccc(Br)cc2)c2ccccc12- InChIKey
ZISOEGMOUGUEMP-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)phthalazin-1(2h)-one
- IUPAC
- 4-(4-bromophenyl)-2H-phthalazin-1-one
- English name
- 4-(4-Bromophenyl)phthalazin-1(2H)-one
- Molecular formula
- C14H9BrN2O
- Molecular weight
- 301.14
Names & synonyms
4-(4-bromophenyl)phthalazin-1(2h)-one76462-38-9DTXSID30351032RefChem:287890DTXCID803020994-(4-Bromophenyl)-1(2H)-phthalazinone4-(4-bromophenyl)-2H-phthalazin-1-oneMFCD026606314-(4-bromophenyl)-1,2-dihydrophthalazin-1-one4-(4-bromophenyl)-2-hydrophthalazin-1-one4-(4-bromophenyl)phthalazinoneSCHEMBL1791310
Show more names
Venadaparib Impurity 24(4-BROMOPHENYL)-1(2H) PHTHALAZINONE1(2H)-Phthalazinone, 4-(4-bromophenyl)-4-(4-Bromophenyl)phthalazin-1(2H)-one 97%JRH-03704, 4-(4-Bromophenyl)phthalazin-1(2H)-one, 97%
SCHEMBL31014290ZISOEGMOUGUEMP-UHFFFAOYSA-NSBB0546514(4-Bromophenyl)-1(2H)phthalazinoneAKOS009144922AKOS015916542ST060220SY168000
Database identifiers
- CAS
76462-38-9- PubChem CID
- 689072
- DTXSID
DTXSID30351032- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 269.5 · 269.5-273.5 °C(lit.)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 11.74 · 11.74±0.40(Predicted)
- InChI
- 1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h1-8H,(H,17,18)
- InChIKey
- ZISOEGMOUGUEMP-UHFFFAOYSA-N
- SMILES
- Brc1ccc(cc1)C2=NNC(=O)c3ccccc23
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 2925199590 · 2925199590
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2925199590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
Related reactions
1 records
Compound notes
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