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2-Amino-4-hydroxybenzamide

HCID 20501428
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
82049-00-1
Standard SMILES
NC(=O)c1ccc(O)cc1N
InChIKey
QKLKEDYLVISGDX-UHFFFAOYSA-N
Molecular formula
C7H8N2O2
Average molar mass
152.15 g/mol
Monoisotopic mass
152.0585775

Names & identifiers

Preferred name
2-Amino-4-hydroxybenzamide
IUPAC
2-amino-4-hydroxybenzamide
English name
Benzamide, 2-amino-4-hydroxy- (9CI)
Molecular formula
C7H8N2O2
Molecular weight
152.15

Names & synonyms

2-AMINO-4-HYDROXYBENZAMIDE82049-00-1DTXSID60608182RefChem:255569DTXCID40558939964-566-9Benzamide, 2-amino-4-hydroxy- (9CI)2-amino-4-hydroxy-benzamideBENZAMIDE, 2-AMINO-4-HYDROXY-MFCD00204479SCHEMBL164897QKLKEDYLVISGDX-UHFFFAOYSA-N
Show more names
HDA04900AKOS027417197MB00909DS-18829SY278642CS-0158442C76630EN300-1295248

Database identifiers

CAS
82049-00-1
PubChem CID
20501428
DTXSID
DTXSID60608182
EC Number
964-566-9

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
89.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
161

Physicochemical properties

Boiling point
353.6 · 353.6±27.0 °C(Predicted)
Density
1.397 · 1.397±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
8.7 · 8.70±0.18(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Amino-4-methoxybenzamideSodium bicarbonateBoron tribromide1,2-DichloroethaneTetrahydrofuranWater

Related reactions

8 records
New reaction record
HRID 98147 reaction equation
HRID 98147As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 625772 reaction equation
HRID 625772As productuspto-grants-2016_04
HRID 625773 reaction equation
HRID 625773As reactantuspto-grants-2016_04
HRID 1424431 reaction equation
HRID 1424431As productuspto-grants-2015_01
HRID 1424432 reaction equation
HRID 1424432As reactantuspto-grants-2015_01
HRID 1801919 reaction equation
HRID 1801919As productuspto-grants-2013_01
HRID 1801920 reaction equation
HRID 1801920As reactantuspto-grants-2013_01
HRID 2129368 reaction equation
HRID 2129368As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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