Mucobromic acid

CAT: 0286-M32620-03Size: 500 gDry Ice: NoHazardous: Yes

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CAT#:0286-M32620-03Size:500 g

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CAS Number

488-11-9

UN Code

UN3261

Pictogram

05 - Corrosive

UDF Signal Word

Danger

MDL Number

MFCD00063745

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Corrosive Solid, Acidic, Organic, N.O.S.

DOT Classification

Class 8

Packaging Group

PGII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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

Mucobromic Acid

in Chemline, RN above is for the gamma-lactone form; asparagine synthetase antagonist; structure

CAS Number	488-11-9
PubChem CID	3033972
IUPAC Name	(Z)-2,3-dibromo-4-oxobut-2-enoic acid
Molecular Formula	C4H2Br2O3
Molecular Weight	257.86
XLogP	1.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	173

SMILES

C(=O)/C(=C(\C(=O)O)/Br)/Br

InChI

InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-

InChIKey

NCNYEGJDGNOYJX-IHWYPQMZSA-N

Chemical Structure

2D Structure

CAS: 488-11-9

CID: 3033972

Formula: C4H2Br2O3

MW: 257.86

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	257.86
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	257.83502
Monoisotopic Mass	255.83707
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
sc-250420	Mucobromic acid
613004	MUCOBROMIC ACID (2,3‐ DIBROMOMALEALDEHYDIC ACID)
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Mucobromic acid

Chemical Information

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