Basic information
- CAS
13675-94-0- Standard SMILES
O=[N+]([O-])c1ccc2nccc(Cl)c2c1- InChIKey
FLKFKUSJAFUYDU-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.00395508
Names & identifiers
- Preferred name
- 4-Chloro-6-nitroquinoline
- IUPAC
- 4-chloro-6-nitroquinoline
- English name
- 4-CHLORO-6-NITROQUINOLINE
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
4-Chloro-6-nitroquinolineDTXSID10301853RefChem:521655DTXCID60252987837-643-913675-94-0Quinoline, 4-chloro-6-nitro-MFCD004989904-Chloro-6-nitro-quinolineNSC146766CBMicro_019785Oprea1_602422
Show more names
NSC 1467666-Nitro-4-chloroquinoline
SCHEMBL537824CCG-5291CS-D0485AMY5062SCHEMBL6449426NAA67594BBL103041STL556850
Database identifiers
- CAS
13675-94-0- PubChem CID
- 287210
- DTXSID
DTXSID10301853- EC Number
- 837-643-9
- Nikkaji
- J889.339J
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 142.5 °C · 142.5 °C
- Boiling point
- 351.4 · 351.4±22.0 °C(Predicted)
- Density
- 1.484 · 1.484
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.82 · 1.82±0.16(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C9H5ClN2O2/c10-8-3-4-11-9-2-1-6(12(13)14)5-7(8)9/h1-5H
- InChIKey
- FLKFKUSJAFUYDU-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC([N+]([O-])=O)=CC=2)C(Cl)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
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, 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
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-6-nitroquinoline is used as a reactant in the preparation of arylaminoquinoline derivatives as potent inhibitors of epidermal growth factor receptor.
Suppliers59 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific
Related reactions
15 records
Compound notes
Loading…