3-Amino-4-bromobenzoic acid, 95%

Name: 3-Amino-4-bromobenzoic acid
Brand: Chempure

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CAS Number

2840-29-1

Molecular Weight

216.03

Formula

C7H6BrNO2

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About this item

IUPAC name	3-amino-4-bromobenzoic acid
canonical smiles	C1=CC(=C(C=C1C(=O)O)N)Br
inchi	InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
inchi key	TZFJADFQEBASQU-UHFFFAOYSA-N
molecular formula	C7H6BrNO2
synonyms	3-amino-4-bromobenzoic acid 2840-29-1 3-amino-4-bromo-benzoic Acid Benzoic acid, 3-amino-4-bromo- MFCD00579106

Computed Properties

Molecular Weight:	216.03 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	214.95819 g/mol
Monoisotopic Mass:	214.95819 g/mol
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

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (95.12%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AA8687

3-Amino-4-bromobenzoic acid, 95%

Product No: AA8687

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Product No: AA8687

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?