Basic information
- CAS
32314-39-9- Standard SMILES
Cc1cc(Cl)c2cccc(C)c2n1- InChIKey
ILOAZUIOTZZIBK-UHFFFAOYSA-N- Molecular formula
- C11H10ClN
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.050177
Names & identifiers
- Preferred name
- 4-Chloro-2,8-dimethylquinoline
- IUPAC
- 4-chloro-2,8-dimethylquinoline
- English name
- 4-CHLORO-2,8-DIMETHYLQUINOLINE
- Molecular formula
- C11H10ClN
- Molecular weight
- 191.66
Names & synonyms
4-Chloro-2,8-dimethylquinoline32314-39-9DTXSID60355624RefChem:291403DTXCID90306684681-802-3MFCD002723524-chloro-2-methyl-8-methylquinolineSCHEMBL3185142,8-dimethyl-4-chloro-quinolineSTK698484EN300-80377
Show more names
4-CHLORO-8-METHYLQUINALDINEQuinoline, 4-chloro-2,8-dimethyl-4-chloro-2,6-dimethylquinoline hydrochloride
L10111AI-020/34794009Z4452148804-Chloro-2,8-dimethyl-quinoline2-Bromo-4'-methoxylacetophenoneAMY10602FT-0618008WLZ4047
Database identifiers
- CAS
32314-39-9- PubChem CID
- 809556
- DTXSID
DTXSID60355624- EC Number
- 681-802-3
- Nikkaji
- J3.036.303E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 182 · 182-186 C
- Boiling point
- 283.5 · 283.5±35.0 °C(Predicted)
- Density
- 1.188 · 1.188
- storage temp.
- 2 · 2-8°C
- pka
- 4.41 · 4.41±0.50(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
- InChIKey
- ILOAZUIOTZZIBK-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cl)c2cccc(C)c2n1
- CAS DataBase Reference
- 32314 · 32314-39-9(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
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
Danger
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 20/21/22-36/37/38-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers39 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
7 records
Compound notes
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