2-tert-Butylbenzimidazole
Basic information
- CAS
24425-13-6- Standard SMILES
CC(C)(C)c1nc2ccccc2[nH]1- InChIKey
ZQWHWRQRGKZTSE-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-tert-Butylbenzimidazole
- IUPAC
- 2-tert-butyl-1H-benzimidazole
- English name
- 2-tert-Butylbenzimidazole
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
2-tert-ButylbenzimidazoleRefChem:4836072-tert-butyl-1H-benzo[d]imidazole24425-13-62-tert-Butyl-1H-benzimidazole2-tert-butyl-1H-1,3-benzodiazoleBENZIMIDAZOLE, 2-tert-BUTYL-1H-Benzimidazole, 2-(1,1-dimethylethyl)-MFCD00051584F93H6YZW5CCHEMBL352690NSC-34830
Show more names
AKOS BB-3173AKOS BBS-00004644TIMTEC-BB SBB0038002-tert-butyl-benzimidazol2-tert-Butylbenzimidazole,97%
2-(tert-butyl)benzimidazoleNSC 34830BRN 0133137NSC34830tert-butylbenzimidazole2-t-butylbenzimidazole2-t-butyl benzimidazoleMaybridge3_001133
Database identifiers
- CAS
24425-13-6- PubChem CID
- 32366
- DTXSID
DTXSID20179181- ChEMBL
CHEMBL352690- UNII
- F93H6YZW5C
- EC Number
- 850-464-0
- Nikkaji
- J69.186K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 320 °C · 320 °C
- Boiling point
- 295.23 °C · 295.23°C (rough estimate)
- Density
- 1.076 · 1.076
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 93 H6YZW5C · F93H6YZW5C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 24 · 24/25
- Toxicity
- 50 · mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07472,
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07472,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
3 records
Compound notes
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