Basic information
- CAS
5345-09-5- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(O)c1- InChIKey
YXNYMZXPUWOUJT-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 3,5-Dimethyl-2-nitrophenol
- IUPAC
- 3,5-dimethyl-2-nitrophenol
- English name
- 3,5-Dimethyl-2-nitrophenol
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3,5-Dimethyl-2-nitrophenol5345-09-5DTXSID70277585RefChem:486966DTXCID60228743659-614-8Phenol, 3,5-dimethyl-2-nitro-MFCD00092223NSC-29972-nitro-3,5-dimethylphenolNSC2997starbld0011225
Show more names
H8JZE8NA5V3,5-Xylenol, 2-nitro-3,5-dimethyl-2-nitro-phenol3,5-Dimethyl-2-nitrophenol #SCHEMBL11107564SCHEMBL31538466SCHEMBL31538467YXNYMZXPUWOUJT-UHFFFAOYSA-N
Database identifiers
- CAS
5345-09-5- PubChem CID
- 220367
- DTXSID
DTXSID70277585- UNII
- H8JZE8NA5V
- EC Number
- 659-614-8
- Nikkaji
- J3.396.178B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…