Basic information
- CAS
63634-21-9- Standard SMILES
Cn1cc([N+](=O)[O-])nc1Cl- InChIKey
FBVLYAYUSWWENM-UHFFFAOYSA-N- Molecular formula
- C4H4ClN3O2
- Average molar mass
- 161.55 g/mol
- Monoisotopic mass
- 160.9992041
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-chloro-1-methyl-4-nitro-
- IUPAC
- 2-chloro-1-methyl-4-nitroimidazole
- English name
- 2-Chloro-1-methyl-4-nitro-1H-imidazole
- Molecular formula
- C4H4ClN3O2
- Molecular weight
- 161.55
Names & synonyms
2-CHLORO-1-METHYL-4-NITRO-1H-IMIDAZOLE63634-21-91H-Imidazole, 2-chloro-1-methyl-4-nitro-1-Methyl-2-chloro-4-nitroimidazoleBRN 0510609DTXSID702130045-23-04-00492 (Beilstein Handbook Reference)NSC 342707RefChem:238057DTXCID301354952-chloro-1-methyl-4-nitroimidazoleMFCD01721662
Show more names
NSC342707SCHEMBL84336991-Methyl-4-nitro-chlorimidazolSCHEMBL19674728AKOS016015467AT53551NSC-342707MS-20750
Database identifiers
- CAS
63634-21-9- PubChem CID
- 44569
- DTXSID
DTXSID70213004- Nikkaji
- J1.607.002E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LogP0.19
Physicochemical properties
- Melting point
- 141 · 141-142 °C
- Boiling point
- 333.9 · 333.9±34.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- -2.47 · -2.47±0.60(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933299090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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