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5-Bromo-1-methyl-1H-tetrazole

HCID 12797446
NotesReactions

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

Basic information

CAS
16681-79-1
Standard SMILES
Cn1nnnc1Br
InChIKey
MPEZKCXHVQSKLO-UHFFFAOYSA-N
Molecular formula
C2H3BrN4
Average molar mass
162.978 g/mol
Monoisotopic mass
161.9541082

Names & identifiers

Preferred name
5-Bromo-1-methyl-1H-tetrazole
IUPAC
5-Bromo-1-methyl-1H-tetrazole
English name
5-Bromo-1-methyl-1H-tetrazole
Molecular formula
C2H3BrN4
Molecular weight
162.98

Names & synonyms

5-Bromo-1-methyl-1H-tetrazole1H-Tetrazole, 5-bromo-1-methyl-5-bromo-1-methyl-1H-1,2,3,4-tetrazole

Database identifiers

CAS
16681-79-1
PubChem CID
12797446
DTXSID
DTXSID30510142
EC Number
818-960-1

Properties

Physicochemical properties

Melting point
72 · 72-74 °C
Boiling point
253.7 · 253.7±23.0 °C(Predicted)
Density
2.25 · 2.25±0.1 g/cm3(Predicted)
pka
0.34 · 0.34±0.10(Predicted)
Symbol(GHS)
7 · GHS07,GHS02
Signal word
Danger
Hazard statements
228 · H228-H319-H335-H315
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS02
Hazard statements
H228-H319-H335-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378

Chemistry & industry

Upstream & downstream products

Downstream products

5-Bromo-2-methyl-1H-tetrazole

Suppliers3 total

砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]

Related reactions

6 records
New reaction record
HRID 818469 reaction equation
HRID 818469As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 826854 reaction equation
HRID 826854As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2164743 reaction equation
HRID 2164743As reactantuspto-grants-1985_03
HRID 2164744 reaction equation
HRID 2164744As reactantuspto-grants-1985_03
HRID 2233968 reaction equation
HRID 2233968As reactantuspto-grants-2010_05
HRID 2327196 reaction equation
HRID 2327196As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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