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51072-84-5

51072-84-5 structural image
Product Name: 1,2-DIMETHYL-1H-INDOLE-3-CARBONITRILE
Formula: C11H10N2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 19.9 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P233:Keep container tightly closed.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304:IF INHALED:
P312:Call a POISON CENTER or doctor/physician if you feel unwell.
P321:Specific treatment (see … on this label).
P340:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P362:Take off contaminated clothing and wash before reuse.
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. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403:Store in a well-ventilated place.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 170.21 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 170.084398327 g/mol
Monoisotopic Mass 170.084398327 g/mol
Topological Polar Surface Area 28.7 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 240
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes