2-(1H-Pyrrol-1-Yl)Phenol

HCID 712334
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Basic information

CAS
32277-91-1
Standard SMILES
Oc1ccccc1-n1cccc1
InChIKey
NZABOAAWARHJSH-UHFFFAOYSA-N
Molecular formula
C10H9NO
Average molar mass
159.18 g/mol
Monoisotopic mass
159.06841391

Names & identifiers

Preferred name
2-(1H-Pyrrol-1-Yl)Phenol
IUPAC
2-pyrrol-1-ylphenol
English name
2-(1H-PYRROL-1-YL)BENZENOL
Molecular formula
C10H9NO
Molecular weight
159.18

Names & synonyms

2-(1H-Pyrrol-1-Yl)Phenol32277-91-12-pyrrol-1-ylphenol2-(1H-Pyrrol-1-yl)benzenolPhenol, 2-(1H-pyrrol-1-yl)-MFCD001283271-(2-hydroxyphenyl)pyrrole2-pyrrolylphenolo-(pyrrol-1-yl)-phenol1-(o-hydroxyphenyl)pyrrolePhenol, 2-pyrrol-1-yl-N-(2-Hydroxyphenyl)pyrrole
Show more names
2-(1-pyrrolyl)phenol2-PYRROL-1-YL-PHENOL
TimTec1_0060341-(o-hydroxyphenyl)-pyrroleN-(2-hydroxyphenyl)-pyrroleSCHEMBL2050250SCHEMBL5534584DTXSID70351874HMS1551C06ALBB-025234

Database identifiers

CAS
32277-91-1
PubChem CID
712334
DTXSID
DTXSID70351874
Nikkaji
J586.822J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
25.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
48 · 48-50°C
Boiling point
138 · 138-140 °C(Press: 0.03 Torr)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)
pka
8 · 8.00±0.35(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2933998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
hazard_class
IRRITANT

Chemistry & industry

Suppliers12 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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