5-Bromoanthranilic Acid

CAT: 0286-B18599-01Size: 5 gDry Ice: NoHazardous: Yes

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CAT#:0286-B18599-01Size:5 g

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CAS Number

5794-88-7

UN Code

UN2811

Pictogram

06 - Acute Toxicity

UDF Signal Word

Danger

MDL Number

MFCD00007823

Hazard Statement

H301 Toxic 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

Toxic Solids, Organic, N.O.S.

DOT Classification

Class 6.1

Packaging Group

PGIII

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

2-Amino-5-bromobenzoic acid

structure in first source

CAS Number	5794-88-7
PubChem CID	79858
IUPAC Name	2-amino-5-bromobenzoic acid
Molecular Formula	C7H6BrNO2
Molecular Weight	216.03
XLogP	1.6
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

C1=CC(=C(C=C1Br)C(=O)O)N

InChI

InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

CUKXRHLWPSBCTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5794-88-7

CID: 79858

Formula: C7H6BrNO2

MW: 216.03

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	216.03
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	214.95819
Monoisotopic Mass	214.95819
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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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5-Bromoanthranilic Acid

Chemical Information

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