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1-(3-bromophenyl)-1H-imidazole

HCID 312096
NotesReactions

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

Basic information

CAS
25372-02-5
Standard SMILES
Brc1cccc(-n2ccnc2)c1
InChIKey
QUGKDYCNOGZPMO-UHFFFAOYSA-N
Molecular formula
C9H7BrN2
Average molar mass
223.07 g/mol
Monoisotopic mass
221.97926032

Names & identifiers

Preferred name
1-(3-bromophenyl)-1H-imidazole
IUPAC
1-(3-bromophenyl)imidazole

Names & synonyms

1-(3-bromophenyl)-1H-imidazoleRefChem:423421958-268-81-(3-bromophenyl)imidazole25372-02-51-(3-Bromo-phenyl)-1H-imidazoleMFCD20040448NSC220208SCHEMBL4818742SCHEMBL7856681SCHEMBL25268906SCHEMBL29992569
Show more names
DTXSID20309961QUGKDYCNOGZPMO-UHFFFAOYSA-NABA372021H-Imidazole, 1-(3-bromophenyl)-NSC-220208SY422788DB-067385G70173

Database identifiers

CAS
25372-02-5
PubChem CID
312096
DTXSID
DTXSID20309961
EC Number
958-268-8
Nikkaji
J3.640.552J

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
151

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

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Suppliers8 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海途志化工有限公司19542790274 · [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]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

4 records
New reaction record
HRID 196791 reaction equation
HRID 196791As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 478247 reaction equation
HRID 478247As reactantuspto-grants-2003_11
HRID 902570 reaction equation
HRID 902570As productuspto-grants-2008_04
HRID 1212579 reaction equation
HRID 1212579As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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