Basic information
- CAS
15862-94-9- Standard SMILES
COc1cc(CCl)c([N+](=O)[O-])cc1OC- InChIKey
VRHNUGLFVZJARZ-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4
- Average molar mass
- 231.63 g/mol
- Monoisotopic mass
- 231.02983548
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-4,5-dimethoxy-2-nitrobenzene
- IUPAC
- 1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene
- English name
- 1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene
- Molecular formula
- C9H10ClNO4
- Molecular weight
- 231.63
Names & synonyms
1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene15862-94-9DTXSID20541142RefChem:226359DTXCID50491929Benzene, 1-(chloromethyl)-4,5-dimethoxy-2-nitro-MFCD116392251-(chloromethyl)-4,5-dimethoxy-2-nitro-benzene2-nitro-4,5-dimethoxybenzyl chlorideSCHEMBL66837VRHNUGLFVZJARZ-UHFFFAOYSA-NBS-21591
Show more names
4,5-dimethoxy-2-nitrobenzyl chloride
A50889EN300-1967647F819402
Database identifiers
- CAS
15862-94-9- PubChem CID
- 13449288
- DTXSID
DTXSID20541142- Nikkaji
- J1.959.605B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 90 · 90-91 °C(Solv: ethanol (64-17-5))
- Boiling point
- 362 · 362.0±37.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H410-H290
- Precautionary statements
- 501 · P501-P273-P260-P234-P264-P280-P390-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- Hazard statements
- H314-H410-H290
- Precautionary statements
- P501-P273-P260-P234-P264-P280-P390-P391-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉市恒瑞信泰生物医药科技有限公司027-027-65522215 18163303831 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南通多予医药科技有限公司15221991309 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
2 records
Compound notes
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