Isophthalamidoxime
Basic information
- CAS
15325-51-6- Standard SMILES
N/C(=N\O)c1cccc(/C(N)=N/O)c1- InChIKey
JVXOIYJLJWAUQP-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Names & identifiers
- Preferred name
- Isophthalamidoxime
- IUPAC
- 1-N',3-N'-dihydroxybenzene-1,3-dicarboximidamide
- English name
- IsophthalaMidoxiMe, 97%
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19
Names & synonyms
Isophthalamidoxime15325-51-61-N',3-N'-dihydroxybenzene-1,3-dicarboximidamideIsophthalaMidoxiMe, 97per centNSC114711E,E-1,3-benzenediamidioximeDTXSID60934711NSC-114711IsophthaldiamidoximeN~1~,N~3~-Dihydroxybenzene-1,3-dicarboximidamideG73165Isophthalamidoxime,97%
Show more names
Benzene-1,3-diamidoximeIsophthalaMidoxiMe, 97%N1,N3-DihydroxyisophthalimidamideN1,N3-Dihydroxy-1,3-benzenedicarboximidamide1,3-Benzenedicarboximidamide, N1,N3-dihydroxy-dimethoxyphosphoryl(methoxy)phosphoryl]oxymethane
Database identifiers
- CAS
15325-51-6- PubChem CID
- 9603659
- DTXSID
DTXSID60934711- EC Number
- 681-473-6
- Nikkaji
- J1.934.279D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture and light
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H10N4O2/c9-7(11-13)5-2-1-3-6(4-5)8(10)12-14/h1-4,13-14H,(H2,9,11)(H2,10,12)
- InChIKey
- JVXOIYJLJWAUQP-UHFFFAOYSA-N
- SMILES
- N\C(=N\O)c1cccc(c1)\C(N)=N\O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (20%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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