Basic information
- CAS
2818-76-0- Standard SMILES
CCn1c(C)nc2cc(Cl)ccc21- InChIKey
WOUUWYXDNDKIGX-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0610761
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
- IUPAC
- 5-chloro-1-ethyl-2-methylbenzimidazole
- English name
- 5-chloro-1-ethyl-2-methyl-benzimidazole
- Molecular formula
- C10H11ClN2
- Molecular weight
- 194.66
Names & synonyms
5-Chloro-1-ethyl-2-methyl-benzimidazole1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-Benzimidazole, 5-chloro-1-ethyl-2-methyl-5-chloro-1-ethyl-2-methyl-1H-benzimidazoleEINECS 220-576-9NSC 97067DTXSID8062652RefChem:438082DTXCID1037775Benzimidazole, 5-chloro-1-ethyl-2-methyl-(8CI)220-576-92818-76-0
Show more names
5-chloro-1-ethyl-2-methyl-benzimidazol1-Ethyl-2-methyl-5-chloro-1H-benzimidazole5-CHLORO-1-ETHYL-2-METHYLBENZIMIDAZOLE,99%1H-Benzimidazole,5-chloro-1-ethyl-2-methyl-(9CI)
5-Chloro-1-ethyl-2-methylbenzimidazole5-Chloro-1-ethyl-2-methyl-1H-benzo[d]imidazole5-chloro-1-ethyl-2-methyl-1H-1,3-benzodiazoleZ8PP2ATW5RNSC-97067NSC97067UNII-Z8PP2ATW5RCambridge id 5160785
Database identifiers
- CAS
2818-76-0- PubChem CID
- 76064
- DTXSID
DTXSID8062652- UNII
- Z8PP2ATW5R
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 84 · 84-86 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 165 · 165-170 °C(Press: 4 Torr)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 5.49 · 5.49±0.25(Predicted)
- FDA UNII
- 8 PP2ATW5R · Z8PP2ATW5R
- EPA Substance Registry System
- 1 H-Benzimidazole, · 1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl- (2818-76-0)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H300-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
- 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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H315-H318-H300-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-: ACTIVE
Suppliers3 total
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
海蔚化学86-21-51086038 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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