Dinosam
Basic information
- CAS
4097-36-3- Standard SMILES
CCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O- InChIKey
PSOZMUMWCXLRKX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.09027155
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Dinosam
- IUPAC
- 2,4-dinitro-6-pentan-2-ylphenol
- English name
- 2,4-dinitro-6-pentan-2-yl-phenol
- Molecular formula
- C11H14N2O5
- Molecular weight
- 254.24
Names & synonyms
DinosamDNOSAP4097-36-3DNAP2-sec-Amyl-4,6-dinitrophenol2,4-Dinitro-6-(1-methylbutyl)phenolPhenol, 2-(1-methylbutyl)-4,6-dinitro-NSC-21493J04VBD97F1DTXSID2041882dinitroaminophenyl groupRefChem:134482
Show more names
inosam4,6-DINITRO-O-AMYLPHENOL2,4-dinitro-6-pentan-2-yl-phenoldinosam 2-(1-methylbutyl)-4,6-dinitrophenol
DTXCID0021882DinitroaminophenolChemox generalDinosameDinosam [ISO]4,6-Dinitro-o-sec-amylphenol2-(1-Methyl-n-butyl)-4,6-dinitrophenolNSC 21493
Database identifiers
- CAS
4097-36-3- PubChem CID
- 20041
- DTXSID
DTXSID2041882- UNII
- J04VBD97F1
- EC Number
- 620-422-4
- Nikkaji
- J8.680K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 333.2 · 333.2±42.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- pka
- 4 · 4.00±0.50(Predicted)
- form
- Oil
- color
- Yellow
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 VBD97F1 · J04VBD97F1
- EPA Substance Registry System
- Dinosam (4097-36-3)
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H410
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
- Hazard Codes
- T,N
- Risk Statements
- 23 · 23/24/25-50/53
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: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Hazardous to the aquatic environment (acute) - category 1
Acute Tox. 3 *
Safety data
- ridadr
- 3013
- risk_code
- 23/24/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 13-45-60-61
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H301-H311-H331-H410
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Applications
UsesDinosam is used in preparation of Chitosan gel and application thereof in shampoo for preventing alopecia.Also, used in methods and formulations for preventing downward migration of agricultural materials.
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Compound notes
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