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Basic information
- CAS
37021-63-9- Standard SMILES
O=[N+]([O-])c1cc(Cc2ccccc2)ccc1O- InChIKey
NDIBMYMEBYRTTJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 4-Benzyl-2-nitrophenol
- IUPAC
- 4-benzyl-2-nitrophenol
- English name
- 2-Nitro-4-benzylphenol
- Molecular weight
- 0
Names & synonyms
4-benzyl-2-nitrophenol37021-63-9DTXSID10354900RefChem:290307DTXCID403059602-Nitro-4-benzylphenol4-benzyl-2-nitro-phenolCambridge id 5142570Oprea1_809259SCHEMBL1601110NDIBMYMEBYRTTJ-UHFFFAOYSA-NMBA02163
Show more names
AKOS0036307382-NITRO-ALPHA-PHENYL-PARA-CRESOLCS-0265437EN300-98568G34607Z979482348
Database identifiers
- CAS
37021-63-9- PubChem CID
- 786374
- DTXSID
DTXSID10354900- Nikkaji
- J308.280F
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
7 records
Compound notes
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