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O-Tolylurea

CAT: 0286-T16895-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-T16895-02Size:100 g
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CAS Number
614-77-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00025407
Hazard Statement
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
Not D.O.T.-Regulated
Precautions
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.

Chemical Information

o-Tolylurea
CAS Number614-77-7
PubChem CID69198
IUPAC Name(2-methylphenyl)urea
Molecular FormulaC8H10N2O
Molecular Weight150.18
XLogP0.3
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC1=CC=CC=C1NC(=O)N
InChI
InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
BLSVCHHBHKGCSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Tolylurea
CAS: 614-77-7
CID: 69198
Formula: C8H10N2O
MW: 150.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.18
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.079312947
Monoisotopic Mass150.079312947
Topological Polar Surface Area55.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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