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2,6-Dichloro-3-(trifluoromethyl)pyridine

HCID 1810337
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
55304-75-1
Standard SMILES
FC(F)(F)c1ccc(Cl)nc1Cl
InChIKey
UPWAAFFFSGQECJ-UHFFFAOYSA-N
Molecular formula
C6H2Cl2F3N
Average molar mass
215.98 g/mol
Monoisotopic mass
214.95163908

Overview

structure in first source

Names & identifiers

Preferred name
2,6-Dichloro-3-(trifluoromethyl)pyridine
IUPAC
2,6-dichloro-3-(trifluoromethyl)pyridine
English name
2,6-Dichloro-3-(trifluoromethyl)pyridine
Molecular formula
C6H2Cl2F3N
Molecular weight
215.99

Names & synonyms

2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-12,6-Dichloro-3-trifluoromethylpyridineDTXSID00203852RefChem:83162DTXCID30126343259-585-8MFCD000422452,6-Dichloro-3-trifluoromethyl-pyridinePyridine, 2,6-dichloro-3-(trifluoromethyl)-2,6-dichloro-5-trifluoromethylpyridineEINECS 259-585-8
Show more names
2,6-Dichloro-3-[trifluoromethy2,6-DICHLORO-3-(TRIFLUOROMETHYL)PYRIDIN&2,6-Dichloro-3-(trifluoromethyl)pyridine,97%2,6-DICHLORO-3-[TRIFLUOROMETHYL]-PYRIDINE 99+%2,6-Dichloro-3-(trifluoromethyl)pyridine - [D4528]2,6-Dichloro-alpha,alpha,alpha-trifluoro-3-picoline2,6-DICHLORO-3-(TRIFLUOROMETHYL)PYRIDINE, PURISS, 98%2,6-Dichloro-3-(trifluoromethyl)pyridine ISO 9001:2015 REACH
2,6-dichloro-3-(trifluoromethyl)-pyridineSCHEMBL855349SCHEMBL29388275HMS1786K12RB1094SBB095178AKOS001044538CS-W008192

Database identifiers

CAS
55304-75-1
PubChem CID
1810337
DTXSID
DTXSID00203852
EC Number
259-585-8
Nikkaji
J62.501I

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
161

Physicochemical properties

Melting point
194 °C · 194 °C
Boiling point
194 · 194-196 °C(lit.)
Density
2.008 g/mL · 2.008 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.4850(lit.)
Flash point
218 °F · 218 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
-4.84 · -4.84±0.10(Predicted)
Appearance
Colorless to light yellow Liquid
BRN
1570287 · 1570287
InChI
InChI=1S/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
InChIKey
UPWAAFFFSGQECJ-UHFFFAOYSA-N
SMILES
C1(Cl)=NC(Cl)=CC=C1C(F)(F)F
CAS DataBase Reference
55304 · 55304-75-1(CAS DataBase Reference)
UNSPSC Code
12352100 · 12352100
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
302 · H302-H312-H331-H300-H315-H319-H335
Precautionary statements
280 · P280-P304+P340-P405-P501a-P261-P264-P301+P310-P305+P351+P338
Hazard Codes
T,Xi
Risk Statements
25 · 25-36/37/38
Safety Statements
26 · 26-36/37-45
RIDADR
2810 · UN 2810 6.1/PG 3
WGK Germany
3 · 3
Hazard Note
Harmful/Irritant
HazardClass
6.1 · 6.1
PackingGroup
III
HS Code
29333990 · 29333990

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

Danger

H300 (85.1%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (85.1%)

Safety data

wgk
3
ridadr
UN 2810 6.1/PG 3
hs_code
29333990
risk_code
25-36/37/38
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T,Xi
hazard_note
Harmful/Irritant
safety_code
26-36/37-45
hazard_class
6.1
packing_group
III
Hazard statements
H302-H312-H331-H300-H315-H319-H335
Precautionary statements
P280-P304+P340-P405-P501a-P261-P264-P301+P310-P305+P351+P338

Chemistry & industry

Applications

Uses2,6-Dichloro-3-(trifluoromethyl)pyridine is a fluorine-containing pyridine derivative that can be used in cross-coupling reactions of polyhalogenated heterocycles and in the preparation of other aryl pyridines.

Upstream & downstream products

Upstream raw materials

2-Chloro-3-(trifluoromethyl)pyridine3-Picoline2-Chloro-5-trifluoromethylpyridine2-chloro-5-(trifluoromethyl)pyridine 1-oxide(Trifluoromethyl)trimethylsilane2,6-Dichloro-3-iodopyridinePotassium fluorideTetrahydrofuranCopper(l) iodideN,N-Dimethylformamide

Suppliers100 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [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]
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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
百益化学(连云港)有限公司18552648286 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]

Related reactions

35 records
New reaction record
HRID 17949 reaction equation
HRID 17949As reactantuspto-grants-2010_06
HRID 94941 reaction equation
HRID 94941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 168265 reaction equation
HRID 168265As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 184115 reaction equation
HRID 184115As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 401558 reaction equation
HRID 401558As reactantuspto-grants-2014_06
HRID 490299 reaction equation
HRID 490299As reactantuspto-grants-2009_05
HRID 545082 reaction equation
HRID 545082As productuspto-grants-2011_05
HRID 545083 reaction equation
HRID 545083As reactantuspto-grants-2011_05
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes