Basic information
- CAS
5467-57-2- Standard SMILES
O=C(O)c1cc(Cl)nc2ccccc12- InChIKey
ICNCOMYUODLTAI-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO2
- Average molar mass
- 207.61 g/mol
- Monoisotopic mass
- 207.00870611
Names & identifiers
- Preferred name
- 2-Chloroquinoline-4-carboxylic acid
- IUPAC
- 2-chloroquinoline-4-carboxylic acid
- English name
- 2-Chloroquinoline-4-carboxylic acid
- Molecular formula
- C10H6ClNO2
- Molecular weight
- 207.61
Names & synonyms
2-chloroquinoline-4-carboxylic acidDTXSID40282368RefChem:470530DTXCID30233521679-916-35467-57-2MFCD000239404-Quinolinecarboxylic acid, 2-chloro-2-CHLORO-4-CARBOXY QUINOLINE2-Chloro-quinoline-4-carboxylic acidNSC25654Oprea1_493520
Show more names
AKOS BB-6908A-CHLORO CINCHONINIC ACID2-Chloroquinoline-4-CarboxylicAci2-Chloroquinoline-4-carboxylic Acid >
MLS000713994NSC-25654SMR000273475SR-01000596891SR-01000596891-12-chloroc2-Chloro-4-quinolinecarboxylic acid2-chlorocinchoninic acid
Database identifiers
- CAS
5467-57-2- PubChem CID
- 230582
- DTXSID
DTXSID40282368- ChEMBL
CHEMBL1887535- EC Number
- 679-916-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>31.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 244 °C · 244 °C
- Boiling point
- 368.7 · 368.7±22.0 °C(Predicted)
- Density
- 1.469 · 1.469±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 2.17 · 2.17±0.10(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C10H6ClNO2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
- InChIKey
- ICNCOMYUODLTAI-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(C(O)=O)=CC=1Cl
- CAS DataBase Reference
- 5467 · 5467-57-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933491090 · 2933491090
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 (50%): 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 (50%)
Safety data
- hs_code
- 2933491090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Chloroquinoline-4-carboxylic Acid is an intermediate used to prepare dimethyl(naphthalenecarbonyl)aminobenzoic acids as potent and selective EP4 antagonists.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 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]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
西安凯翔医药科技有限公司029-86538357
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
百盛HK进出口有限公司+86-18068513926
上海凯谱林医药开发有限公司（原兰州联云志）021-50106671
丹阳瑞辉化工有限公司0511-86883198 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海驭远医药科技有限公司13052276172 · [email protected]
嘉兴诺华化工有限公司18957373295
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
上海相辉医药科技有限公司[email protected]
深圳莱施生物科技有限公司0755-0755-28609002 15112530219 · [email protected]
Related reactions
12 records
Compound notes
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