4-Bromo-1,5-dimethyl-1H-1,2,3-triazole - CAS 885877-41-8
Catalog: |
BB071109 |
Product Name: |
4-Bromo-1,5-dimethyl-1H-1,2,3-triazole |
CAS: |
885877-41-8 |
Synonyms: |
4-bromo-1,5-dimethyl-1H-1,2,3-triazole; 4-bromo-1,5-dimethyltriazole |
IUPAC Name: | 4-bromo-1,5-dimethyltriazole |
Molecular Weight: | 176.01 |
Molecular Formula: | C4H6N3Br |
Canonical SMILES: | CC1=C(N=NN1C)Br |
InChI: | InChI=1S/C4H6BrN3/c1-3-4(5)6-7-8(3)2/h1-2H3 |
InChI Key: | TYLRPDYYHMFCFT-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 87.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.97451 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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