Bromoacetic anhydride 94%

CAT: 0286-B18310-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0286-B18310-01Size:5 g

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CAS Number

13094-51-4

Synonyms

2-Bromoacetic anhydride

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00045041

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

Bromoacetic anhydride

CAS Number	13094-51-4
PubChem CID	4259817
IUPAC Name	(2-bromoacetyl) 2-bromoacetate
Molecular Formula	C4H4Br2O3
Molecular Weight	259.88
XLogP	1.5
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	109

SMILES

C(C(=O)OC(=O)CBr)Br

InChI

InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2

InChIKey

FUKOTTQGWQVMQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13094-51-4

CID: 4259817

Formula: C4H4Br2O3

MW: 259.88

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	259.88
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	259.85067
Monoisotopic Mass	257.85272
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	109
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

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Bromoacetic anhydride 94%

Chemical Information

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