1-(3-bromophenyl)-1H-pyrrole

HCID 642818
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Basic information

CAS
107302-22-7
Standard SMILES
Brc1cccc(-n2cccc2)c1
InChIKey
LEUXOIBRUWVBGM-UHFFFAOYSA-N
Molecular formula
C10H8BrN
Average molar mass
222.08 g/mol
Monoisotopic mass
220.98401

Names & identifiers

Preferred name
1-(3-bromophenyl)-1H-pyrrole
IUPAC
1-(3-bromophenyl)pyrrole
English name
1-(3-Bromophenyl)-1H-pyrrole
Molecular formula
C10H8BrN
Molecular weight
222.08

Names & synonyms

1-(3-bromophenyl)-1H-pyrrole107302-22-71H-pyrrole, 1-(3-bromophenyl)-DTXSID50349072RefChem:224208DTXCID10300144InChI=1/C10H8BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-81-(3-bromophenyl)pyrrole1-(3-Bromo-phenyl)-1H-pyrroleMFCD02665243(3-bromophenyl)pyrrole3-(1-pyrrolyl)bromobenzene
Show more names
BUTTPARK 96\50-041-(3-bromophenyl)-1H-pyridine1-(3-Bromophenyl)-1h-pyrrole, 95+%
SCHEMBL267354LEUXOIBRUWVBGM-UHFFFAOYSA-NSBB096245STK197119AKOS000126851SB62163DB-040750CS-0155617

Database identifiers

CAS
107302-22-7
PubChem CID
642818
DTXSID
DTXSID50349072
Nikkaji
J1.286.252K

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
4.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
63 °C · 63 °C
Boiling point
294.9 · 294.9±23.0 °C(Predicted)
Density
1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
-5.74 · -5.74±0.70(Predicted)
CAS DataBase Reference
107302 · 107302-22-7(CAS DataBase Reference)

Safety & regulation

Safety data

hs_code
2933998090
risk_code
36/37/38-41-37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irittant

Chemistry & industry

Upstream & downstream products

Suppliers44 total

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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