Basic information
- CAS
5341-07-1- Standard SMILES
O=[N+]([O-])c1cccc2cc(Br)cnc12- InChIKey
DTXRHWZDVULKEJ-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O2
- Average molar mass
- 253.05 g/mol
- Monoisotopic mass
- 251.95344
Names & identifiers
- Preferred name
- Quinoline, 3-bromo-8-nitro-
- IUPAC
- 3-bromo-8-nitroquinoline
- English name
- 3-Bromo-8-nitroquinoline
- Molecular formula
- C9H5BrN2O2
- Molecular weight
- 253.05
Names & synonyms
3-Bromo-8-nitroquinolineQuinoline, 3-bromo-8-nitro-NSC 2045PC9NR79L9YBRN 0155665NSC-2045DTXSID602015714-20-00-03406 (Beilstein Handbook Reference)RefChem:178249DTXCID90124062807-244-45341-07-1
Show more names
MFCD002344708-nitro-3-bromoquinoline3-bromo-8-nitro-quinolineNSC2045UNII-PC9NR79L9Y3-bromo-8-nitro_quinolineSCHEMBL6431603WLN: T66 BNJ DE JNW
Database identifiers
- CAS
5341-07-1- PubChem CID
- 79286
- DTXSID
DTXSID60201571- UNII
- PC9NR79L9Y
- EC Number
- 807-244-4
- Nikkaji
- J48.198J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 358.3 · 358.3±27.0 °C(Predicted)
- Density
- 1.7693 · 1.7693 (rough estimate)
- refractive index
- 1.514 · 1.5140 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -1.26 · -1.26±0.28(Predicted)
- Appearance
- Light yellow to brown Solid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 NR79L9Y · PC9NR79L9Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers45 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Related reactions
6 records
Compound notes
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