Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, iodide (1:1)
Basic information
- CAS
14134-79-3- Standard SMILES
CN1C(=CC=Cc2oc3ccccc3[n+]2C)Oc2ccccc21.[I-]- InChIKey
PXGXZGVGEDLSMW-UHFFFAOYSA-M- Molecular formula
- C19H17IN2O2
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 432.03348
Overview
RN given refers to iodide; structure
Names & identifiers
- Preferred name
- Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, iodide (1:1)
- IUPAC
- 3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
- English name
- 3 3'-Dimethyloxacarbocyanine iodide 98
- Molecular formula
- C19H17N2O2.I
- Molecular weight
- 432.26
Names & synonyms
Cyanine dye 114134-79-3RefChem:566414Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propenyl)-, iodide237-987-4Benzoxazolium, 3-methyl-2-(3-(3-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl)-, iodide (1:1)3,3'-Dimethyloxacarbocyanine iodide3-Methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide3,3'-Dimethyloxacarbocyanineiodide3 3'-DIMETHYLOXACARBOCYANINE IODIDE 98SCHEMBL2182985SCHEMBL2182988
Show more names
cyaninedye13 3'-Dimethyloxacarbocyanine iodide 983 3'-DIMETHYLOXACARBOCYANINE IODIDE 98%3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium iodide3-methyl-2-(3-(3-methylbenzoxazol-2(3H)-ylidene)prop-1-en-1-yl)benzoxazol-3-ium iodide2-[3-(2,3-Dihydro-3-methylbenzoxazole-2-ylidene)-1-propenyl]-3-methylbenzoxazole-3-ium·iodideBenzoxazolium, 3-methyl-2-[3-(3-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 262 ℃ · 262℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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