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Indophenol Blue C.I. 49700

CAT: 0286-I01970-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-I01970-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132-31-0
UDF Signal Word
Warning
MDL Number
MFCD00041739
Hazard Statement
H303 May be harmful if swallowed; H317 May cause an allergic skin reaction; H320 Causes eye irritation; H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled.
DOT Name
Not regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Indophenol blue
CAS Number132-31-0
PubChem CID67235
IUPAC Name4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one
Molecular FormulaC18H16N2O
Molecular Weight276.3
XLogP4
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity444
SMILES
CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23
InChI
InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3
InChIKey
VRZJGENLTNRAIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indophenol blue
CAS: 132-31-0
CID: 67235
Formula: C18H16N2O
MW: 276.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.3
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.126263138
Monoisotopic Mass276.126263138
Topological Polar Surface Area32.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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