CAS 35654-56-9 4-Chloro-6,7-dimethoxyquinoline (HCID 459610)

Names & identifiers

Preferred name: 4-Chloro-6,7-dimethoxyquinoline
IUPAC: 4-chloro-6,7-dimethoxyquinoline
English name: 4-chloro-6,7-dimethoxyquinoline
Molecular formula: C11H10ClNO2
Molecular weight: 223.66

Names & synonyms

4-Chloro-6,7-dimethoxyquinoline35654-56-9DTXSID30332684RefChem:98475DTXCID20283777676-028-84-Chloro-6,7-dimethoxy-quinolineMFCD077784376,7-Dimethoxy-4-chloroquinoline4-chloro-6,7-dimethoxy quinolineQUINOLINE, 4-CHLORO-6,7-DIMETHOXY-CS-D1175

Show more names

4-Chloro-6,7-dimethoxyquioline4-CHLORO-67-DIMETHOXYQUINOLINEoro-6,7-dimethoxyquinoLCabozantinib Impurity 71Cabozantinib Chloro Analog4-Chloro-6,7-dimethoxy-quinolin

AKOS005188230PB30954C2938BCP26870A6221JPZ3QT9MF3SCHEMBL359988orb3143830

Database identifiers

CAS: 35654-56-9
PubChem CID: 459610
DTXSID: DTXSID30332684
UNII: JPZ3QT9MF3
EC Number: 109-055-6、676-028-8
Nikkaji: J3.764.890F

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 31.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Physicochemical properties

Melting point: 132 to · 132.0 to 136.0 °C
Boiling point: 325.2 · 325.2±37.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.95 · 3.95±0.30(Predicted)
color: Pale Brown to Light Brown
InChI: InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OC)C=2)C(Cl)=CC=1
CAS DataBase Reference: 35654 · 35654-56-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45-24/25
RIDADR: 2811 · UN2811
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29334900 · 29334900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (98%): 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (98%)

Acute Tox. 3 (100%)

Safety data

wgk: WGK 3
ridadr: UN2811
hs_code: 29334900
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45-24/25
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H319-H315-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

Uses4-Chloro-6,7-dimethoxyquinoline, can be used as an intermediate for the synthesis of various pharmaceutical and biologically active compounds. It is used for the preparation of Tivozanib (T447205), and Cabozantinib (C051500), acting as anticancer agents.

Upstream & downstream products

Upstream raw materials

Butane, 2,2'-oxybis[2-methyl-diethyl {[(3,4-dimethoxyphenyl)amino]methylidene}propanedioate 4-Hydroxy-6,7-dimethoxyqunioline 1-(4,5-Dimethoxy-2-nitro-phenyl)-ethanone 2'-Amino-4',5'-dimethoxyacetophenone 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile 3,4-Dimethoxyacetophenone 4-Aminoveratrole Acetovanillone tert-Butyl methyl ether

Suppliers100 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海宇之诚医药科技有限公司13361818591 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

499 records

New reaction record

HRID 88492As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 91899As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 93913As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 94007As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 94065As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 100431As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102277As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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Basic information