2-Methyl-2H-benzotriazole-4-sulfonyl chloride - CAS 1033464-75-3
Catalog: |
BB052194 |
Product Name: |
2-Methyl-2H-benzotriazole-4-sulfonyl chloride |
CAS: |
1033464-75-3 |
Synonyms: |
2-methyl-2H-1,2,3-benzotriazole-4-sulfonyl chloride; 2-Methyl-2H-benzo[d][1,2,3]triazole-4-sulfonyl chloride |
IUPAC Name: | 2-methylbenzotriazole-4-sulfonyl chloride |
Molecular Weight: | 231.66 |
Molecular Formula: | C7H6ClN3O2S |
Canonical SMILES: | CN1N=C2C=CC=C(C2=N1)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClN3O2S/c1-11-9-5-3-2-4-6(7(5)10-11)14(8,12)13/h2-4H,1H3 |
InChI Key: | QZQHYAJAYCBGFU-UHFFFAOYSA-N |
Purity: | 95% |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.9869253 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.9869253 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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