1H-Benzotriazole, 6,6'-methylenebis-
Basic information
- CAS
15805-10-4- Standard SMILES
c1cc2n[nH]nc2cc1Cc1ccc2n[nH]nc2c1- InChIKey
IWASLBFJTMJYHF-UHFFFAOYSA-N- Molecular formula
- C13H10N6
- Average molar mass
- 250.26 g/mol
- Monoisotopic mass
- 250.09669434
Names & identifiers
- Preferred name
- 1H-Benzotriazole, 6,6'-methylenebis-
- IUPAC
- 5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole
- English name
- 5,5'-methylenebis(1H-benzotriazole)
- Molecular formula
- C13H10N6
- Molecular weight
- 250.26
Names & synonyms
5,5'-Methylenebis(1H-benzotriazole)1H-Benzotriazole, 5,5'-methylenebis-1H-Benzotriazole, 6,6'-methylenebis-EINECS 239-903-1RefChem:438160239-903-115805-10-4Bis(1H-benzo[d][1,2,3]triazol-5-yl)methane5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole6-((1H-benzo[d][1,2,3]triazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole5,5'-Methylenebis-1H-benzotriazoleMFCD00758857
Show more names
SKL4785,5’-Methylenebis(benzotriazole)5,5'-methylenebis-1h-benzotriazol6,6'-Methylenebis-1H-benzotriazole
5,5/'-methylenebis(1H-benzotriazole)5,5'-METHYLENEBIS(BENZOTRIAZOLE)CBDivE_003160Oprea1_575307Oprea1_703852Oprea1_876094SCHEMBL269521SCHEMBL501616
Database identifiers
- CAS
15805-10-4- PubChem CID
- 85114
- DTXSID
DTXSID4065947- EC Number
- 239-903-1
- Nikkaji
- J248.770E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 238 · 238-240℃
- Boiling point
- 665.9 · 665.9±35.0 °C(Predicted)
- Density
- 1.502 · 1.502
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.36 · 8.36±0.40(Predicted)
- Appearance
- White to off-white Solid
- EPA Substance Registry System
- 1 H-Benzotriazole, · 1H-Benzotriazole, 5,5'-methylenebis- (15805-10-4)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (15.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Benzotriazole, 5,5'-methylenebis-
1H-Benzotriazole, 5,5'-methylenebis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (15.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280-P370+P378
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzotriazole, 6,6'-methylenebis-: ACTIVE
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Related reactions
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Compound notes
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