Products for Research Use Only
RegisterLogin

5-Methylbenzotriazole

CAT: 0572-TRC-M288785-10GSize: 10 gDry Ice: NoHazardous: Yes
Product image 1
1 / 1
CAT#:0572-TRC-M288785-10GSize:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
136-85-6
Hazard Statement
Harmful if swallowed; UN number: UN1759; Packing Group: II
Smiles
Cc1ccc2[nH]nnc2c1
Molecular Formula
C7 H7 N3
Molecular Weight
133.15
InChI
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
Additionnal Information
IUPAC name: 5-methyl-1H-benzotriazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Methyl-1H-benzotriazole

5-methyl-1H-benzotriazole is a member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5. It has a role as a xenobiotic and an environmental contaminant.

CAS Number136-85-6
PubChem CID8705
IUPAC Name5-methyl-2H-benzotriazole
Molecular FormulaC7H7N3
Molecular Weight133.15
XLogP1.4
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
CC1=CC2=NNN=C2C=C1
InChI
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKey
LRUDIIUSNGCQKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-1H-benzotriazole
CAS: 136-85-6
CID: 8705
Formula: C7H7N3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass133.063997236
Monoisotopic Mass133.063997236
Topological Polar Surface Area41.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-M288780-1G4-Methylbenzotriazole
TRC-M288780-100MG4-Methylbenzotriazole
TRC-M288780-500MG4-Methylbenzotriazole
TRC-M288782-10MG4-Methylbenzotriazole-d3
TRC-M288782-1MG4-Methylbenzotriazole-d3
TRC-F597040-250MG5-Fluoro-2-methylbenzothiazole
TRC-F597040-100MG5-Fluoro-2-methylbenzothiazole
TRC-F597040-500MG5-Fluoro-2-methylbenzothiazole
TRC-A604045-1G2-Amino-5-chloro-4-methylbenzothiazole
TRC-M900005-10G2-Methylbenzothiazole

Alternative Products

CatalogName
M12110-015-Methylbenzotriazole
sc-2172205-Methylbenzotriazole-d6
OR73669-015-bromo-1-methylbenzotriazole
0165594-Methylbenzotriazole
410075-011-Methylbenzotriazole-5-carboxylic acid
OR936661-011-Methylbenzotriazole
MBS6108222-014-Methylbenzotriazole-d3
435776-015-Bromo-6,7-difluoro-1-methylbenzotriazole
OR1024843-011-H-Methylbenzotriazole, Sodiumsalt
sc-2627255,5,5-Trifluorovaleronitrile

Popular Products