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2-Chloro-6-fluoroquinoline

HCID 15059433
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
77119-53-0
Standard SMILES
Fc1ccc2nc(Cl)ccc2c1
InChIKey
USAYWGMYCNWTGO-UHFFFAOYSA-N
Molecular formula
C9H5ClFN
Average molar mass
181.59 g/mol
Monoisotopic mass
181.00945506

Names & identifiers

Preferred name
2-Chloro-6-fluoroquinoline
IUPAC
2-chloro-6-fluoroquinoline
English name
2-Chloro-6-fluoroquinoline
Molecular formula
C9H5ClFN
Molecular weight
181.59

Names & synonyms

2-chloro-6-fluoroquinoline77119-53-0DTXSID50567673RefChem:259104DTXCID90518447800-801-22-chloro-6-fluoro-quinolineMFCD08236768Quinoline, 2-chloro-6-fluoro-SCHEMBL755383AKOS013465538AB43963
Show more names
6-FLUORO-2-CHLORO-QUINOLINE2-chloro-6-fluoro-quinoline - [C87398]
AS-48229F19958EN300-1234987AMY14280A865359SCHEMBL28618393SY103126CS-0136088

Database identifiers

CAS
77119-53-0
PubChem CID
15059433
DTXSID
DTXSID50567673
EC Number
800-801-2
Nikkaji
J3.396.638E

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
165

Physicochemical properties

storage temp.
2 · Sealed in dry,2-8°C
form
solid
color
BROWN
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338
HS Code
2933499090 · 2933499090

Safety & regulation

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 2 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
2933499090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Quinoline, 6-fluoro-, 1-oxide6-Fluoroquinolin-2(1H)-one

Suppliers55 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
河北凡博医药科技有限公司15588346797
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [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]

Related reactions

22 records
New reaction record
HRID 117100 reaction equation
HRID 117100As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 158710 reaction equation
HRID 158710As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 326038 reaction equation
HRID 326038As reactantuspto-grants-1984_04
HRID 336546 reaction equation
HRID 336546As reactantuspto-grants-2014_11
HRID 538398 reaction equation
HRID 538398As reactantuspto-grants-2014_10
HRID 624518 reaction equation
HRID 624518As reactantuspto-grants-2016_04
HRID 860023 reaction equation
HRID 860023As productuspto-grants-2006_12
HRID 860024 reaction equation
HRID 860024As reactantuspto-grants-2006_12
Page 1 of 3

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
河北凡博医药科技有限公司15832170903 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
北京化生探究技术有限公司13263398295 15563557098 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
武汉千恒瑞泰生物医药科技有限公司15610156652 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海氟德化工有限公司021-544580828 021-54450828 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海书吉生物科技有限公司021-021-62200788 15000569291 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
重庆卡兰医药有限公司[email protected]
上海歆化化学科技有限公司086-18817515273 18817515273 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]