Basic information
- CAS
40403-72-3- Standard SMILES
ClCc1ncc[nH]1- InChIKey
UGHWFYKQWZHCHK-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2
- Average molar mass
- 116.55 g/mol
- Monoisotopic mass
- 116.01412584
Names & identifiers
- Preferred name
- 2-(chloromethyl)-1H-imidazole
- IUPAC
- 2-(chloromethyl)-1H-imidazole
- English name
- 2-(Chloromethyl)imidazole
- Molecular formula
- C4H5ClN2
- Molecular weight
- 116.55
Names & synonyms
2-(chloromethyl)-1H-imidazole40403-72-3DTXSID90330005RefChem:253489DTXCID50281100MFCD086698251H-Imidazole, 2-(chloromethyl)-chloromethylimidazole2-chloromethyl-1H-imidazoleSCHEMBL12476055SCHEMBL171856062-(Chloromethyl);-1H-imidazole
Show more names
2-(Chloromethyl)imidazole2-chloromethyl-1-1H-imidazole
UGHWFYKQWZHCHK-UHFFFAOYSA-NAKOS006281624BS-12761DB-070006CS-0530735
Database identifiers
- CAS
40403-72-3- PubChem CID
- 425763
- DTXSID
DTXSID90330005- Nikkaji
- J1.057.839F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Boiling point
- 320.5 · 320.5±25.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 12.89 · 12.89±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Suppliers18 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
16 records
Compound notes
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