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2-Bromo-5-chloro-3-fluoropyridine

HCID 10965798
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
514797-97-8
Standard SMILES
Fc1cc(Cl)cnc1Br
InChIKey
PYDGFYYLQFJQBZ-UHFFFAOYSA-N
Molecular formula
C5H2BrClFN
Average molar mass
210.43 g/mol
Monoisotopic mass
208.90431706

Names & identifiers

Preferred name
2-Bromo-5-chloro-3-fluoropyridine
IUPAC
2-bromo-5-chloro-3-fluoropyridine
English name
2-Bromo-5-chloro-3-fluoropyridine
Molecular formula
C5H2BrClFN
Molecular weight
210.43

Names & synonyms

2-Bromo-5-chloro-3-fluoropyridine514797-97-8DTXSID30450094RefChem:257320DTXCID90400914640-738-62-Bromo-3-fluoro-5-chloropyridineMFCD110442682-bromo-5-chloro-3-fluoro-pyridinePyridine, 2-bromo-5-chloro-3-fluoro-SCHEMBL2300183SCHEMBL29720092
Show more names
2-Bromo-5-chloro-3-fluoropyridine ISO 9001:2015 REACH
PYDGFYYLQFJQBZ-UHFFFAOYSA-NSBB094381AKOS005063890AB62913AC-2964CS-W021618BL001908DS-17515

Database identifiers

CAS
514797-97-8
PubChem CID
10965798
DTXSID
DTXSID30450094
EC Number
640-738-6
Nikkaji
J1.861.132E

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
103

Physicochemical properties

Boiling point
190.8 · 190.8±35.0 °C(Predicted)
Density
1.829 · 1.829±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-3.92 · -3.92±0.20(Predicted)
form
solid
color
White to off-white
InChI
InChI=1S/C5H2BrClFN/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKey
PYDGFYYLQFJQBZ-UHFFFAOYSA-N
SMILES
C1(Br)=NC=C(Cl)C=C1F
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H315-H319-H335
Precautionary statements
260 · P260-P271-P280
RIDADR
2811 · UN2811
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

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, 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 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 CategoriesAcute Tox. 4 (66.7%)

Safety data

ridadr
UN2811
hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P260-P271-P280

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Bromo-5-chloro-3-fluoro-4-iodopyridine2-Bromo-5-chloro-3-fluoro-6-iodo-pyridine5-Chloro-2,3-difluoropyridine2(1H)-Pyridinone,5-chloro-3-fluoro-(9CI)2-Amino-5-chloro-3-fluoropyridine

Suppliers100 total

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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南京修合医药科技有限公司19848384152 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京晨瑞医药科技有限公司86-25-58849758 13851795789 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
安徽合诺生物科技有限公司18455579438
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [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]
学研惠(武汉)科技有限公司15727060112 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
南京唯博特医药科技有限公司18066048793; 18014498793 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
越林试剂021-62960152 · [email protected]
金瓯生物医药(南京)有限公司13000000000 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
凯方医药科技(上海)有限公司021-67220633 021-54824098 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
阜新清稷升科技有限公司15940530539 15396717197 · [email protected]
上海皓之翔生物科技有限公司(原上海拓青化工有限公司)526763801 13301653310 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
阜新峰成化工科技发展有限公司0418-2868000 13464847801 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]

Related reactions

8 records
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HRID 61022As reactantuspto-grants-2016_09
HRID 61109 reaction equation
HRID 61109As reactantuspto-grants-2016_09
HRID 61121 reaction equation
HRID 61121As reactantuspto-grants-2016_09
HRID 1668843 reaction equation
HRID 1668843As productuspto-grants-2011_08
HRID 1668844 reaction equation
HRID 1668844As reactantuspto-grants-2011_08
HRID 2134246 reaction equation
HRID 2134246As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2262684 reaction equation
HRID 2262684As productuspto-grants-2010_12
HRID 2262685 reaction equation
HRID 2262685As reactantuspto-grants-2010_12

Compound notes

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