Basic information
- CAS
141472-79-9- Standard SMILES
Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C- InChIKey
AGMQHEBJQCVRFK-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2
- Average molar mass
- 270.75 g/mol
- Monoisotopic mass
- 270.0923762
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole
- IUPAC
- 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
- English name
- 1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
- Molecular formula
- C16H15ClN2
- Molecular weight
- 270.76
Names & synonyms
141472-79-91-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazoleCHEMBL1945694SCHEMBL10005900RFA47279BDBM50447261EBC-08497STK866099AKOS001139178CCG-291121
Show more names
1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-
ST008177CS-02483161-(4-Chlorobenzyl)-5,6-dimethylbenzimidazoleEN300-39612G320941-(2'-chloro)benzyl-5,6-dimethyl-benzimidazoleAG-205/36981057SR-01000519354
Database identifiers
- CAS
141472-79-9- PubChem CID
- 683409
- ChEMBL
CHEMBL1945694- EC Number
- 173-276-4
- Nikkaji
- J468.047B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 448.6 · 448.6±47.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 5.47 · 5.47±0.10(Predicted)
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
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%)
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
OTAVA-BB[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SPECS[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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