Basic information
- CAS
103057-10-9- Standard SMILES
ClCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1- InChIKey
ADCUCAMWCWNHJA-UHFFFAOYSA-N- Molecular formula
- C23H19ClN2
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.12367629
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-1-trityl-1H-imidazole
- IUPAC
- 4-(chloromethyl)-1-tritylimidazole
- English name
- 4-(Chloromethyl)-1-trityl-1H-imidazole
- Molecular formula
- C23H19ClN2
- Molecular weight
- 358.86
Names & synonyms
4-(Chloromethyl)-1-trityl-1H-imidazole103057-10-9DTXSID10376788RefChem:288684DTXCID103278164-(chloromethyl)-1-tritylimidazole4-(CHLOROMETHYL)-1-(TRIPHENYLMETHYL)-1H-IMIDAZOLEMFCD06660115C23H19ClN2SCHEMBL7594-chloromethyl-1-tritylimidazole1-trityl-4-chloromethyl-imidazole
Show more names
1H-Imidazole, 4-(chloromethyl)-1-(triphenylmethyl)-
ADCUCAMWCWNHJA-UHFFFAOYSA-NSAA289304-(chloromethyl)-1-trityl-imidazole4-chloromethyl-1-trityl-1H-imidazoleAKOS015850528AB26688DS-99901-triphenylmethyl-4-chloromethylimidazole
Database identifiers
- CAS
103057-10-9- PubChem CID
- 2763176
- DTXSID
DTXSID10376788- EC Number
- 672-878-9
- Nikkaji
- J1.626.191B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 139 · 139-141 °C
- Boiling point
- 503.4 · 503.4±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 5.28 · 5.28±0.70(Predicted)
- InChI
- 1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
- InChIKey
- ADCUCAMWCWNHJA-UHFFFAOYSA-N
- SMILES
- ClCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
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
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- WGK 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers21 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Cck Pharmchem Co.,ltd0512-68131995 13862051930
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
44 records
Compound notes
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