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(2-(1H-pyrrol-1-yl)phenyl)methanol

HCID 7016493
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
61034-86-4
Standard SMILES
OCc1ccccc1-n1cccc1
InChIKey
PMFMGYSILUCETA-UHFFFAOYSA-N
Molecular formula
C11H11NO
Average molar mass
173.21 g/mol
Monoisotopic mass
173.08406397

Names & identifiers

Preferred name
(2-(1H-pyrrol-1-yl)phenyl)methanol
IUPAC
(2-pyrrol-1-ylphenyl)methanol
English name
[2-(1H-Pyrrol-1-yl)phenyl]methanol
Molecular formula
C11H11NO
Molecular weight
173.21

Names & synonyms

61034-86-4(2-(1H-pyrrol-1-yl)phenyl)methanol[2-(1H-Pyrrol-1-yl)phenyl]methanol(2-PYRROL-1-YL-PHENYL)-METHANOL(2-pyrrol-1-ylphenyl)methanolMFCD041151232-(Pyrrol-1-yl)benzyl Alcohol2-(1H-Pyrrol-1-yl)benzyl alcohol(2-pyrrolylphenyl)methan-1-olorb3031583SCHEMBL96671592-(pyrrol-1-yl)-benzyl alcohol
Show more names
(2-pyrrol-1-ylphenyl)methano4-Hydroxy-3-Methyl-1H-quinolin-2-one2-(1H-Pyrrol-1-yl)benzyl alcohol 97%Benzenemethanol, 2-(1H-pyrrol-1-yl)-[2-(1H-Pyrrol-1-yl)phenyl]methanol97%[2-(1H-Pyrrol-1-yl)phenyl]methanol 97%
DTXSID30426855PMFMGYSILUCETA-UHFFFAOYSA-NFr12192SBB088773AKOS006228750AB19668DS-7857SY006212

Database identifiers

CAS
61034-86-4
PubChem CID
7016493
DTXSID
DTXSID30426855

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
25.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
154

Physicochemical properties

Melting point
43 °C · 43 °C
storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
271 · P271-P280
Hazard Note
Harmful
HS Code
2906290090 · 2906290090

Safety & regulation

Safety data

hs_code
2906290090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_note
Harmful
Hazard statements
H302-H315-H319-H335
Precautionary statements
P271-P280

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Ethyl 2-pyrrol-1-yl-benzateSodium bis(2-methoxyethoxy)aluminiumhydrideTolueneHydrochloric acid

Downstream products

Naphthalene

Suppliers27 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Aladdin Scientific[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]
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
上海智乾生物科技有限公司[email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[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]
TargetMol中国(陶术生物)15002134094 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

2 records
New reaction record
HRID 205922 reaction equation
HRID 205922As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 845381 reaction equation
HRID 845381As productuspto-grants-1988_07

Compound notes

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