Basic information
- CAS
3009-13-0- Standard SMILES
O=[N+]([O-])c1cccc(COC[n+]2ccccc2)c1.[Cl-]- InChIKey
BITDLWAQPKSXTF-UHFFFAOYSA-M- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
- Monoisotopic mass
- 280.06147
Names & identifiers
- Preferred name
- Pyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-, chloride (1:1)
- IUPAC
- 1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium chloride
- English name
- 1-[(3-Nitrobenzyloxy)methyl]pyridinium chloride
- Molecular formula
- C13H13ClN2O3
- Molecular weight
- 280.71
Names & synonyms
3009-13-0EINECS 221-128-5DTXSID40883935Pyridinium, 1-(((3-nitrophenyl)methoxy)methyl)-, chloridePyridinium, 1-(((3-nitrophenyl)methoxy)methyl)-, chloride (1:1)Pyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-, chloridePyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-, chloride (1:1)RefChem:177616DTXCID6010234131-(((3-Nitrobenzyl)oxy)methyl)pyridin-1-ium chloride1-[(3-NITROBENZYLOXY)METHYL]PYRIDINIUM CHLORIDE1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium;chloride
Show more names
1-[(3-nitrophenyl)methoxymethyl]pyridin-1-iumN-(3-NITROBENZYLOXYMETHYL)-PYRIDINIUM CHLORIDE1-[(3-Nitrobenzyloxy)methyl]pyridinium chloride,99%1-[[(3-nitrophenyl)methoxy]methyl]-pyridiniuchloride1-[[(3-nitrophenyl)methoxy]methyl]pyridinium chloride
1-{[(3-nitrophenyl)methoxy]methyl}pyridin-1-ium chlorideSCHEMBL7373321-(((3-Nitrophenyl)methoxy)methyl)pyridinium chloride1-[(m-NITROBENZYLOXY)-METHYL]PYRIDINIUM CHLORIDEBITDLWAQPKSXTF-UHFFFAOYSA-MAKOS024374971(m-nitrobenzyloxy)methyl pyridinium chlorideDB-047702
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Density
- 1.3396 · 1.3396 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 1 · Pyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-, chloride (3009-13-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333999 · 29333999
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-, chloride (1:1): INACTIVE
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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