2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

HCID 2773791

Notes Reactions

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Basic information

CAS: 505084-55-9
Standard SMILES: FC(F)(F)c1cnc(Cl)cc1I
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
Molecular formula: C6H2ClF3IN
Average molar mass: 307.44 g/mol
Monoisotopic mass: 306.8872594

Names & identifiers

Preferred name: 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
IUPAC: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
English name: 2-chloro-5-(trifluoromethyl)-4-iodopyridine
Molecular formula: C6H2ClF3IN
Molecular weight: 307.44

Names & synonyms

505084-55-92-chloro-4-iodo-5-(trifluoromethyl)pyridineDTXSID40378715RefChem:258764DTXCID40329742808-025-62-chloro-5-(trifluoromethyl)-4-iodopyridineMFCD018620992-Chloro-4-iodo-5-trifluoromethyl-pyridinePyridine, 2-chloro-4-iodo-5-(trifluoromethyl)-SCHEMBL432680AKOS005063880

Show more names

CAS:505084-55-9chloro-5-(trifluoromethyl)-4-iodopyridine2-CHLORO-5-(TRIFLUOROMETHYL)-4-IODOPHRIDINE2-Chloro-4-iodo-5-(trifluoromethyl)pyridine >2-chloro -4-iodine -5- threefluorineMethyl pyridine2-Chloro-4-iodo-5-(trifluoromethyl)pyridine,tech.90%

CS-W013962AC-5748PB12965PS-7096SY018000BCP11605AM20061264SCHEMBL29395367

Database identifiers

CAS: 505084-55-9
PubChem CID: 2773791
DTXSID: DTXSID40378715
EC Number: 808-025-6
Nikkaji: J3.036.376K

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 126 to · 126.0 to 130.0 °C
Boiling point: 257.6 · 257.6±40.0 °C(Predicted)
Density: 2.046 · 2.046±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, Methanol
form: Solid
pka: -2.74 · -2.74±0.10(Predicted)
color: Light Tan
Sensitive: Light Sensitive
InChI: InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C(I)=C1
CAS DataBase Reference: 505084 · 505084-55-9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

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 · 4 items

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 3 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Chloro-4-iodo-5-(trifluoromethyl)pyridine is used in preparation of pyridine-2,4-diamine derivatives as FAK inhibitors for the treatment of arthritis, inflammatory and immune disorders.

Uses2-chloro-5-(trifluoromethyl)-4-iodopyridine is used in preparation of pyridine-2,4-diamine derivatives as FAK inhibitors for the treatment of arthritis, inflammatory and immune disorders.

Upstream & downstream products

Upstream raw materials

Downstream products

2-[2-Chloro-5-(trifluoroMethyl)pyridin-4-ylaMino]-N-MethylbenzaMide

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

43 records

New reaction record

HRID 67As reactant750 AstraZeneca ELN dataset

HRID 68As reactant750 AstraZeneca ELN dataset

HRID 69As reactant750 AstraZeneca ELN dataset

HRID 162As reactant750 AstraZeneca ELN dataset

HRID 163As reactant750 AstraZeneca ELN dataset

HRID 164As reactant750 AstraZeneca ELN dataset

HRID 253As reactant750 AstraZeneca ELN dataset

HRID 113143As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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