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O-Chlorotoluene 98%

CAT: 0286-C19560-01Size: 1K gDry Ice: NoHazardous: Yes
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CAT#:0286-C19560-01Size:1K g
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CAS Number
95-49-8
UN Code
UN2238
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00000562
Hazard Statement
H226 Flammable liquid and vapor; H271 May cause fire or explosion; strong oxidizer; 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; H411 Toxic to aquatic life with long-lasting effects.
DOT Name
Chlorotoluenes
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P273 Avoid release to the environment; 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-Chlorotoluene

O-chlorotoluene is a colorless liquid with an aromatic odor. Denser than water and poorly soluble in water. Hence sinks in water. (USCG, 1999)

CAS Number95-49-8
PubChem CID7238
IUPAC Name1-chloro-2-methylbenzene
Molecular FormulaC7H7Cl
Molecular Weight126.58
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CC1=CC=CC=C1Cl
InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
IBSQPLPBRSHTTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorotoluene
CAS: 95-49-8
CID: 7238
Formula: C7H7Cl
MW: 126.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.58
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass126.0236279
Monoisotopic Mass126.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
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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