Basic information
- CAS
15599-52-7- Standard SMILES
Cc1ccc2c(Br)cc(Br)c(O)c2n1- InChIKey
BNACJQWJZKPAPV-UHFFFAOYSA-N- Molecular formula
- C10H7Br2NO
- Average molar mass
- 316.98 g/mol
- Monoisotopic mass
- 314.88944
Overview
Broquinaldol is a small molecule drug. Broquinaldol has a monoisotopic molecular weight of 314.89 Da.
Names & identifiers
- Preferred name
- Broquinaldol
- IUPAC
- 5,7-dibromo-2-methylquinolin-8-ol
- English name
- broquinaldol
- Molecular formula
- C10H7Br2NO
- Molecular weight
- 316.98
Names & synonyms
Broquinaldol15599-52-75,7-Dibromo-2-methyl-8-quinolinolBrochinaldolBroquinaldol [INN]BroquinaldolumBroquinaldolum [Latin]DTXSID9046235Broquinaldolum [INN-Latin]NSC-85838519JDS089K5,7-Dibrom-2-methyl-8-chinolinol
Show more names
Unii-519jds089k5,7-dibromo-2-methylquinolin-8-ol
EINECS 239-680-0BROQUINALDOL [WHO-DD]DTXCID7026235NSC 85838Broquinaldolum (Latin)Broquinaldolum (INN-Latin)RefChem:570417239-680-0
Database identifiers
- CAS
15599-52-7、3684-46-6- PubChem CID
- 65620
- DTXSID
DTXSID9046235- ChEMBL
CHEMBL1394319- UNII
- 519JDS089K
- EC Number
- 239-680-0
- Nikkaji
- J10.169I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 126 · 126-130 °C (lit.)
- Boiling point
- 367.4 · 367.4±37.0 °C(Predicted)
- Density
- 1.934 · 1.934±0.06 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.30(Predicted)
- form
- powder
- FDA UNII
- 519 JDS089K · 519JDS089K
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
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]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海皓竹医药科技有限公司18912729622 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉格莱菲医药科技有限公司18995639250 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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