Basic information
- CAS
23222-97-1- Standard SMILES
O=[N+]([O-])c1cc(CO)ccc1CO- InChIKey
KWVHOBYJXDKIPL-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 2-Nitro-p-xylene-alpha,alpha'-diol
- IUPAC
- [4-(hydroxymethyl)-3-nitrophenyl]methanol
- English name
- 2-Nitro-p-xylylene glycol
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
23222-97-12-Nitro-p-xylene-alpha,alpha'-diolEINECS 245-503-82-Nitro-1,4-benzenedimethanolDTXSID70177798RefChem:477174DTXCID30100289245-503-82-Nitro-p-xylylene Glycol(2-Nitro-1,4-phenylene)dimethanol1,4-benzenedimethanol, 2-nitro-[4-(hydroxymethyl)-3-nitrophenyl]methanol
Show more names
Nitroxylyleneglycol2-Nitro-p-xylyleneGlycol>2-Nitrobenzene-1,4-dimethanol2-NITRO-P-XYLYLENE GLYCOL 95+%1,4-Benzenedimethanol,2-nitro-
MFCD00024286[4-(HYDROXYMETHYL)-2-NITROPHENYL]METHANOLUNII-68D3YD7DF468D3YD7DF4AKOS015833506SY106165CS-0182167FT-0638306
Database identifiers
- CAS
23222-97-1- PubChem CID
- 90035
- DTXSID
DTXSID70177798- UNII
- 68D3YD7DF4
- EC Number
- 245-503-8
- Nikkaji
- J208.807J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 398.1 · 398.1±32.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 13.73 · 13.73±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- FDA UNII
- 68 D3YD7DF4 · 68D3YD7DF4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2906.29 · 2906.29.6000
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- hs_code
- 2906.29.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
Uses2-Nitro-p-xylylene Glycol is used as a reactant in the synthesis of furylsulfonamides as EP1 receptor antagonists.
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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