Basic information
- CAS
7640-33-7- Standard SMILES
Oc1c(Br)cc(Cl)c2cccnc12- InChIKey
ADJQQSUBKRASQN-UHFFFAOYSA-N- Molecular formula
- C9H5BrClNO
- Average molar mass
- 258.5 g/mol
- Monoisotopic mass
- 256.9243
Names & identifiers
- Preferred name
- 8-Quinolinol, 7-bromo-5-chloro-
- IUPAC
- 7-bromo-5-chloroquinolin-8-ol
- English name
- 7-Bromo-5-chloro-8-hydroxyquinoline
- Molecular formula
- C9H5BrClNO
- Molecular weight
- 258.5
Names & synonyms
7-Bromo-5-chloroquinolin-8-ol7640-33-77-Bromo-5-chloro-8-hydroxyquinoline7-Bromo-5-chloro-8-quinolinol8-Quinolinol, 7-bromo-5-chloro-5-Chloro-7-bromo-8-hydroxyquinolineBC7DGV5BTRBRN 01536235-Chlor-7-brom-8-hydroxychinolinEINECS 231-574-2ADJQQSUBKRASQN-UHFFFAOYSA-DTXSID60227236
Show more names
Bedaquiline Impurity 1127-Brom-5-chlorchinolin-8-ol7-bromo-5-chloro-8-quinolino7-BROMO-5-CHLORO-8-CHINOLINOL
5-Chlor-7-brom-8-hydroxychinolin [German]5-21-03-00289 (Beilstein Handbook Reference)RefChem:548416DTXCID60149727InChI=1/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13HMFCD000446017-Bromo-5-chloro-quinolin-8-olCHEMBL139938
Database identifiers
- CAS
7640-33-7- PubChem CID
- 82095
- DTXSID
DTXSID60227236- ChEMBL
CHEMBL139938- UNII
- BC7DGV5BTR
- EC Number
- 231-574-2
- Nikkaji
- J48.378H
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
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 181 °C · 181°C
- Boiling point
- 358.4 · 358.4±37.0 °C(Predicted)
- Density
- 1.803 · 1.803±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.23 · 2.23±0.30(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 7640 · 7640-33-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 DGV5BTR · BC7DGV5BTR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-26-36/37/39-25
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- VC4585000
- hs_code
- 2933.49.7000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39-25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Suppliers58 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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