4-bromo-1-methyl-1H-1,3-benzodiazole
Basic information
- CAS
1353679-63-6- Standard SMILES
Cn1cnc2c(Br)cccc21- InChIKey
RQJWIWNNDYLKNI-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926
Names & identifiers
- Preferred name
- 4-bromo-1-methyl-1H-1,3-benzodiazole
- IUPAC
- 4-bromo-1-methylbenzimidazole
- English name
- 4-broMo-1-Methyl-1H-benzo[d]iMidazole
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
1353679-63-64-bromo-1-methyl-1H-1,3-benzodiazoleRefChem:518992826-635-04-Bromo-1-methyl-1H-benzo[d]imidazole4-bromo-1-methylbenzimidazole4-bromo-1-methyl-1H-benzimidazole4-Bromo-1-methyl-1H-benzoimidazoleMFCD183785234-bromo-1-methyl-benzimidazole4-BROMO-1-METHYL-1,3-BENZODIAZOLESCHEMBL5840948
Show more names
1H-Benzimidazole, 4-bromo-1-methyl-
SCHEMBL9981117AKOS022691241DK-0044PB48305SY113269DB-099817CS-0037180EN300-125592
Database identifiers
- CAS
1353679-63-6- PubChem CID
- 67993271
- EC Number
- 826-635-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 317.2 · 317.2±34.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.91 · 3.91±0.10(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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