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Bromodiethylacetylurea

CAT: 0286-B20390-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-B20390-02Size:100 g
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CAS Number
77-65-6
Synonyms
Bromadal; (2-Bromo-2-ethylbutyryl) urea; (a-Bromo-a-ethylbutyryl) carbamide; Carbromal; Nyctal; Planadalin; Tildin; Uradal
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00047872
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

Hoggar

Carbromal is a N-acylurea.

CAS Number77-65-6
PubChem CID6488
IUPAC Name2-bromo-N-carbamoyl-2-ethylbutanamide
Molecular FormulaC7H13BrN2O2
Molecular Weight237.09
XLogP1.5
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
CCC(CC)(C(=O)NC(=O)N)Br
InChI
InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKey
OPNPQXLQERQBBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hoggar
CAS: 77-65-6
CID: 6488
Formula: C7H13BrN2O2
MW: 237.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight237.09
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass236.01604
Monoisotopic Mass236.01604
Topological Polar Surface Area72.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
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