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Structure

4-Bromo-1-methyl-1H-1,2,3-triazole

CAS
13273-53-5
Catalog Number
ACM13273535
Category
Main Products
Molecular Weight
161.99
Molecular Formula
C3H4BrN3

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Specification

Synonyms
4-BROMO-1-METHYL-1H-1,2,3-TRIAZOLE, 13273-53-5, PubChem18355, SureCN10153, KSC496Q6B, CTK3J6860, MolPort-020-008-523, ANW-44663, WT1483, AKOS006303378, AB57103, AG-D-66553, QC-9207, RP22459, AK-57913, KB-82307, 4-BROMO-1-METHYL-1,2,3-TRIAZOLE, AB1010308, X7970, EN300-85847
IUPAC Name
4-bromo-1-methyltriazole
Canonical SMILES
CN1C=C(N=N1)Br
InChI Key
RQZZFHDFPSNDKV-UHFFFAOYSA-N
Boiling Point
227.32ºC at 760 mmHg
Flash Point
91.28ºC
Density
1.934g/cm³
Exact Mass
160.95900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The molecular formula is C3H4BrN3.

What is the molecular weight of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The molecular weight is 161.99 g/mol.

What is the IUPAC name of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The IUPAC name is 4-bromo-1-methyltriazole.

What is the InChI of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The InChI is InChI=1S/C3H4BrN3/c1-7-2-3(4)5-6-7/h2H,1H3.

What is the InChIKey of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The InChIKey is RQZZFHDFPSNDKV-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The canonical SMILES is CN1C=C(N=N1)Br.

What is the CAS number of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The CAS number is 13273-53-5.

What is the European Community (EC) Number of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The EC Number is 809-962-3.

What is the EPA DSSTox Substance ID of 4-Bromo-1-methyl-1H-1,2,3-triazole?

The EPA DSSTox Substance ID is DTXSID70617801.

Is 4-Bromo-1-methyl-1H-1,2,3-triazole a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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