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O-Chlorostyrene

CAT: 0286-C19250-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-C19250-01Size:5 g
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CAS Number
2039-87-4
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000567
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, N.O.S..
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Chlorostyrene

O-chlorostyrene is a clear yellow liquid. (NTP, 1992)

CAS Number2039-87-4
PubChem CID14906
IUPAC Name1-chloro-2-ethenylbenzene
Molecular FormulaC8H7Cl
Molecular Weight138.59
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity98
SMILES
C=CC1=CC=CC=C1Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
ISRGONDNXBCDBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorostyrene
CAS: 2039-87-4
CID: 14906
Formula: C8H7Cl
MW: 138.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.59
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass138.0236279
Monoisotopic Mass138.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.7
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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