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(2-Chloroquinolin-3-yl)methanol

HCID 930708
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
125917-60-4
Standard SMILES
OCc1cc2ccccc2nc1Cl
InChIKey
XLSKEUSDSZNPLA-UHFFFAOYSA-N
Molecular formula
C10H8ClNO
Average molar mass
193.63 g/mol
Monoisotopic mass
193.0294416

Names & identifiers

Preferred name
(2-Chloroquinolin-3-yl)methanol
IUPAC
(2-chloroquinolin-3-yl)methanol
English name
(2-Chloro-3-quinolinyl)methanol
Molecular formula
C10H8ClNO
Molecular weight
193.63

Names & synonyms

(2-chloroquinolin-3-yl)methanol125917-60-4DTXSID00359000RefChem:395694DTXCID00310055802-732-3(2-chloro-3-quinolinyl)methanol2-Chloroquinoline-3-methanolMFCD036942923-Quinolinemethanol, 2-chloro-3-Quinolinemethanol,2-chloro-(2-Chloro-3-quinolyl)methanol
Show more names
RARECHEM AL BD 07452-Chloro-3-quinolinemethanol(2-Chloroquinolin-3-yl)methanol - [C88874](2-chloro-3-quinolinyl)methanol(SALTDATA: FREE)
SCHEMBL1209132-chloro-3-hydroxymethylquinoline(2-Chloro-quinolin-3-yl)-methanolAKOS005613972EN300-74880AE-641/00425011FT-07559882-chloro-3-quinolylmethanol

Database identifiers

CAS
125917-60-4
PubChem CID
930708
DTXSID
DTXSID00359000
EC Number
802-732-3
Nikkaji
J1.145.595F

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
176

Physicochemical properties

Melting point
160 °C · 160 °C
storage temp.
2 · Storage temp. 2-8°C
Appearance
Light yellow to yellow Solid
CAS DataBase Reference
125917 · 125917-60-4
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H318
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xn
Risk Statements
22 · 22-41
Safety Statements
26 · 26-39
WGK Germany
3 · 3
HS Code
2933499090 · 2933499090

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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
hs_code
2933499090
risk_code
22-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xn
safety_code
26-39
Hazard statements
H302-H318
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

2-Chloroquinoline-3-carbaldehyde2-bromo-3-(bromomethyl)quinoline

Suppliers29 total

苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
凯曦(武汉)生物科技有限公司18086025538 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
武汉萘星光电科技有限公司13407122362 · [email protected]
安徽合诺生物科技有限公司18455579438
天津林宸科技有限公司15122256084 15122256084 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

Related reactions

11 records
New reaction record
HRID 169688 reaction equation
HRID 169688As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 577015 reaction equation
HRID 577015As productuspto-grants-2015_05
HRID 577016 reaction equation
HRID 577016As reactantuspto-grants-2015_05
HRID 630056 reaction equation
HRID 630056As productuspto-grants-2016_04
HRID 630057 reaction equation
HRID 630057As reactantuspto-grants-2016_04
HRID 688971 reaction equation
HRID 688971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 943383 reaction equation
HRID 943383As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1948722 reaction equation
HRID 1948722As reactantuspto-grants-2013_03
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
苏州施亚生物科技有限公司
0512-0512-52358471 17715136450 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
西安拓超生物科技有限公司029-88764766 · [email protected]
济南百舟生物科技有限公司0531-88987162 18615427082 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
联化昂健医药科技(上海)有限公司18918657159 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]