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1985-12-2

1985-12-2 structural image
Product Name: 4-BROMOPHENYL ISOTHIOCYANATE
Formula: C7H4BrNS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1480.9

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P309:IF exposed or if you feel unwell:
P310:Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 214.08 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 212.92478 g/mol
Monoisotopic Mass 212.92478 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 146
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