5-chloro-2-(trichloromethyl)-1H-benzimidazole
Basic information
- CAS
3584-66-5- Standard SMILES
Clc1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1- InChIKey
SIZGSKQSWJIWFP-UHFFFAOYSA-N- Molecular formula
- C8H4Cl4N2
- Average molar mass
- 269.9 g/mol
- Monoisotopic mass
- 267.912859
Names & identifiers
- Preferred name
- 5-chloro-2-(trichloromethyl)-1H-benzimidazole
- IUPAC
- 6-chloro-2-(trichloromethyl)-1H-benzimidazole
- English name
- 5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE
- Molecular formula
- C8H4Cl4N2
- Molecular weight
- 269.94
Names & synonyms
3584-66-55-Chloro-2-(trichloromethyl)-1H-benzimidazole6-chloro-2-(trichloromethyl)-1H-benzimidazoleH8R6YS3U8HEINECS 222-713-81H-Benzimidazole, 5-chloro-2-(trichloromethyl)-NSC 158057NSC-158057AI3-51050DTXSID101893751H-Benzimidazole, 6-chloro-2-(trichloromethyl)-BENZIMIDAZOLE, 5-CHLORO-2-(TRICHLOROMETHYL)-
Show more names
5-chloro-2-trichloromethyl-1H-benzoimidazole5-Chloro-2-(trichloromethyl)benzimidazole,95%2-(Trichloromethyl)-5-chloro-1H-benzimidazole5-CHLORO-2-(TRICHLOROMETHYL)BENZIMIDAZOLE 95%
RefChem:102299DTXCID40111866222-713-85-Chloro-2-(trichloromethyl)-1H-benzo[d]imidazole5-Chloro-2-(trichloromethyl)benzimidazoleMFCD000055955-Chloro-(2-trichloromethyl)benzimidazoleMLS003106459
Database identifiers
- CAS
3584-66-5- PubChem CID
- 77134
- DTXSID
DTXSID10189375- ChEMBL
CHEMBL1894357- UNII
- H8R6YS3U8H
- EC Number
- 222-713-8
- Nikkaji
- J216.220B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 223 · 223-224 °C (dec.)(lit.)
- Boiling point
- 419.39 °C · 419.39°C (rough estimate)
- Density
- 1.7547 · 1.7547 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- color
- Light beige to light brown
- InChI
- 1S/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
- InChIKey
- SIZGSKQSWJIWFP-UHFFFAOYSA-N
- SMILES
- Clc1ccc2[nH]c(nc2c1)C(Cl)(Cl)Cl
- CAS DataBase Reference
- 3584 · 3584-66-5
- FDA UNII
- 8 R6YS3U8H · H8R6YS3U8H
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29339980
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H315-H319-H335
Chemistry & industry
Applications
UsesThe effect of 5-chloro-2-trichloromethyl benzimidazole on binding affinity of human growth hormone (hGH) (Thr175 → Gly–hGH) to the extracellular domain of the hGH receptor (Trp104 → Gly–hGHbp) has been investigated.
General DescriptionThe effect of 5-chloro-2-trichloromethyl benzimidazole on binding affinity of human growth hormone (hGH) (Thr175 → Gly–hGH) to the extracellular domain of the hGH receptor (Trp104 → Gly–hGHbp) has been investigated.
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Compound notes
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