Basic information
- CAS
611-35-8- Standard SMILES
Clc1ccnc2ccccc12- InChIKey
KNDOFJFSHZCKGT-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.01887687
Names & identifiers
- Preferred name
- 4-Chloroquinoline
- IUPAC
- 4-chloroquinoline
- English name
- 4-Chloroquinoline
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
4-Chloroquinoline611-35-8CCRIS 3979EINECS 210-267-7DTXSID40209979NSC 96902RefChem:522082DTXCID40132470210-267-7Quinoline, 4-chloro-MFCD000067734-chloro-quinoline
Show more names
oroquinoL4-Chloroquinoline 97%Butyraldehyde,Butanal4-Chloroquinoline,99%4-Chloroquinoline, 98%+4-CHLOROQUINOLINE ISO 9001：2015 REACH
FXK6W2A3GTSCHEMBL201545NSC96902NSC-96902AKOS002680474AC-23128BP-12079SY003930
Database identifiers
- CAS
611-35-8- PubChem CID
- 69140
- DTXSID
DTXSID40209979- UNII
- FXK6W2A3GT
- EC Number
- 210-267-7
- Nikkaji
- J95.373C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
Physical DescriptionMelting point = 34.5 deg C; [ChemIDplus] Clear dark yellow liquid; mp = 28-31 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 28 · 28-31 °C (lit.)
- Boiling point
- 260 · 260-261 °C (lit.)
- Density
- 1.25 g/mL · 1.25 g/mL at 20 °C (lit.)
- refractive index
- 1.611 · 1.6110 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to lump
- pka
- 3.57 · 3.57±0.13(Predicted)
- color
- White to Almost white
- Water Solubility
- Partly soluble in water.
- λmax
- 316 nm · 316nm(EtOH aq.)(lit.)
- BRN
- 114721 · 114721
- InChI
- 1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
- InChIKey
- KNDOFJFSHZCKGT-UHFFFAOYSA-N
- SMILES
- Clc1ccnc2ccccc12
- CAS DataBase Reference
- 611 · 611-35-8(CAS DataBase Reference)
- FDA UNII
- 6 W2A3GT · FXK6W2A3GT
- NIST Chemistry Reference
- 4 · 4-Chloroquinoline(611-35-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloroquinoline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
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北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
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上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
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郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
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上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
越林试剂021-62960152 · [email protected]
上海将来实业股份有限公司021-61552785 · [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]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
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上海石洋化工有限公司021-56795766 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
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江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
181 records
Compound notes
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