Basic information
- CAS
13750-62-4- Standard SMILES
Cc1nccn1Cc1ccccc1- InChIKey
FBHPRUXJQNWTEW-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
- IUPAC
- 1-benzyl-2-methylimidazole
- English name
- 1-Benzyl-2-methyl-1H-imidazole
- Molecular formula
- C11H12N2
- Molecular weight
- 172.23
Names & synonyms
Show more names
Database identifiers
- CAS
13750-62-4- PubChem CID
- 83699
- DTXSID
DTXSID4065604- ChEMBL
CHEMBL1269154- UNII
- 5V6JMQ38AM
- EC Number
- 237-333-8
- Nikkaji
- J102.387J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 57 °C · 57°C
- Boiling point
- 125 · 125-127 °C/3 mmHg (lit.)
- Density
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5645(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 7.54 · 7.54±0.31(Predicted)
- color
- Colorless to Yellow
- Water Solubility
- insoluble
- InChI
- 1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChIKey
- FBHPRUXJQNWTEW-UHFFFAOYSA-N
- SMILES
- Cc1nccn1Cc2ccccc2
- CAS DataBase Reference
- 13750 · 13750-62-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)-(13750-62-4)
- EPA Substance Registry System
- 1 H-Imidazole, · 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (13750-62-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- RTECS
- 7722500 · NI7722500
- TSCA
- TSCA listed
- HS Code
- 29332900 · 29332900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (77.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: 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.
Regulatory information
Regulatory Information
Chemical: 1H-Imidazole, 2-methyl-1-(phenylmethyl)-
1H-Imidazole, 2-methyl-1-(phenylmethyl)-: 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.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NI7722500
- hs_code
- 29332900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses1-Benzyl-2-methylimidazole may be employed as catalyst to investigate the effect of catalysts on the curing reaction of the biphenyl epoxy (4,4′-diglycidyloxy-3,3′,5,5′-tetramethyl biphenyl)dicyclopentadiene type phenolic resin system.
General Description1-Benzyl-2-methylimidazole is a nitrogen heterocycle and forms mixed ligand Pt(II) complexes. 1-Benzyl-2-methylimidazole on treatement with ammonia and sodium yields 2-methylimidazole. Deposition of plasma-polymerized 1-benzyl-2-methylimidazole (PPBMI) thin films onto glass substrates by glow discharge technique have been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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